N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

C15H13ClN4O2S — CID 19581941

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-6-8-14(9-7-13)23(21,22)19-15-17-11-20(18-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)
InChIKeyUGMQBQLHAJUYGY-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.78
Rot. Bonds5

About N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 19581941) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
PubChem CID19581941
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4O2S/c16-13-6-8-14(9-7-13)23(21,22)19-15-17-11-20(18-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)
InChIKeyUGMQBQLHAJUYGY-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20896504
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771721
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 22772069
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22771837
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
CID 22771997
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22771727
4-ethyl-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772226
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-(1-benzyl-1,2,4-triazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 4775772
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (CID 19581941) is N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is UGMQBQLHAJUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c16-13-6-8-14(9-7-13)23(21,22)19-15-17-11-20(18-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 19581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).