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

C16H15ClN4O2S — CID 47062898

IUPAC5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C16H15ClN4O2S/c1-11-7-8-12(17)9-15(11)24(22,23)20-14-6-4-3-5-13(14)16-19-18-10-21(16)2/h3-10,20H,1-2H3
InChIKeyVTIXGVVKBJJKNX-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 47062898) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID47062898
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C16H15ClN4O2S/c1-11-7-8-12(17)9-15(11)24(22,23)20-14-6-4-3-5-13(14)16-19-18-10-21(16)2/h3-10,20H,1-2H3
InChIKeyVTIXGVVKBJJKNX-UHFFFAOYSA-N
XLogP3.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
CID 47062910
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115777996
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 95975753
4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62693888

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 47062898) is 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is VTIXGVVKBJJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-11-7-8-12(17)9-15(11)24(22,23)20-14-6-4-3-5-13(14)16-19-18-10-21(16)2/h3-10,20H,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47062898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).