4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide

C14H11ClN4O2S — CID 2308529

IUPAC4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN4O2S/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyGBRPNNQCRBDXBO-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.24
Rot. Bonds3

About 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide (PubChem CID 2308529) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide
PubChem CID2308529
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN4O2S/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyGBRPNNQCRBDXBO-UHFFFAOYSA-N
XLogP2.24
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[5-(4-sulfamoylphenyl)triazol-1-yl]benzoate
CID 11326630
4-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]-1,3-thiazol-2-amine
CID 21236459
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
4-[5-(hydroxymethyl)triazol-1-yl]benzenesulfonamide
CID 82198350
4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
CID 142913120
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
CID 22998055
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
4-[5-(3,4-dichlorophenyl)triazol-1-yl]aniline
CID 82222250

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide (CID 2308529) is 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is GBRPNNQCRBDXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21).
What are the key properties of 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 334.79 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 2308529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).