QTM

3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

Created:	2019-12-18
Last modified:	2020-08-26

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1 entries where QTM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of QTM

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Chemical Component Summary
Name	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-(2-azanylethyl)-4-(3-chloranyl-4-fluoranyl-phenoxy)benzenesulfonamide
Formula	C₁₄ H₁₄ Cl F N₂ O₃ S
Molecular Weight	344.789
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F
SMILES	CACTVS	3.385	NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F
Canonical SMILES	CACTVS	3.385	NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F
InChI	InChI	1.03	InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
InChIKey	InChI	1.03	WDVWTPNEVTYLQC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154573621

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