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

C15H13ClN4O2S — CID 71723171

IUPAC4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-5-3-12(4-6-13)15-10-20(19-18-15)9-11-1-7-14(8-2-11)23(17,21)22/h1-8,10H,9H2,(H2,17,21,22)
InChIKeyLYHTZPYTBPFEHF-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.29
Rot. Bonds4

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

4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide (PubChem CID 71723171) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
PubChem CID71723171
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC Name4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-5-3-12(4-6-13)15-10-20(19-18-15)9-11-1-7-14(8-2-11)23(17,21)22/h1-8,10H,9H2,(H2,17,21,22)
InChIKeyLYHTZPYTBPFEHF-UHFFFAOYSA-N
XLogP2.29
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide (CID 71723171) is 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is LYHTZPYTBPFEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-5-3-12(4-6-13)15-10-20(19-18-15)9-11-1-7-14(8-2-11)23(17,21)22/h1-8,10H,9H2,(H2,17,21,22).
What are the key properties of 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide?
4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).