2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide

C14H11ClN4O2S — CID 35367970

IUPAC2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O2S/c15-11-5-1-4-8-14(11)22(20,21)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h1-10,18H
InChIKeyPQNPMNFJPGVKEE-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide

2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35367970) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35367970
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O2S/c15-11-5-1-4-8-14(11)22(20,21)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h1-10,18H
InChIKeyPQNPMNFJPGVKEE-UHFFFAOYSA-N
XLogP2.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
CID 35368048
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367858
4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35368037
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
CID 9184424
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900
2-chloro-6-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 115951257
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 4658421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (CID 35367970) is 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is PQNPMNFJPGVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-11-5-1-4-8-14(11)22(20,21)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h1-10,18H.
What are the key properties of 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 334.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35367970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).