3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide

C15H13ClN4O2S — CID 56805967

IUPAC3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(-n2cncn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O2S/c16-13-4-2-6-15(8-13)23(21,22)19-9-12-3-1-5-14(7-12)20-11-17-10-18-20/h1-8,10-11,19H,9H2
InChIKeyXBSJROQAICTDDO-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.40
Rot. Bonds5

About 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide

3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 56805967) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID56805967
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(-n2cncn2)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O2S/c16-13-4-2-6-15(8-13)23(21,22)19-9-12-3-1-5-14(7-12)20-11-17-10-18-20/h1-8,10-11,19H,9H2
InChIKeyXBSJROQAICTDDO-UHFFFAOYSA-N
XLogP2.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 122150605
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
3-[(3-chlorophenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734423
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55914407
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
3-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 56805967) is 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(-n2cncn2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is XBSJROQAICTDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-4-2-6-15(8-13)23(21,22)19-9-12-3-1-5-14(7-12)20-11-17-10-18-20/h1-8,10-11,19H,9H2.
What are the key properties of 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 56805967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).