F38

[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide

Created:	2013-06-24
Last modified:	2014-09-05

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1 entries where F38 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of F38

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Chemical Component Summary
Name	[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide
Systematic Name (OpenEye OEToolkits)	[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]methanesulfonamide
Formula	C₁₅ H₁₃ N₃ O₃ S
Molecular Weight	315.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
SMILES	CACTVS	3.385	N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKey	InChI	1.03	BSTJFPSLLBHMAU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566661, 53529020

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.