31F

4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide

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

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1 entries where 31F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of 31F

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Chemical Component Summary
Name	4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide
Formula	C₁₄ H₁₁ N₃ O₃ S
Molecular Weight	301.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18)
InChIKey	InChI	1.03	OMUIDCNIRWVPSK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	45834489, 135566660

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