2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

C10H11ClN4O2S — CID 79028876

IUPAC2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(C)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-6-3-4-9(8(11)5-6)18(16,17)15-10-12-7(2)13-14-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyFAHHLUXEYAKUQO-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.88
Rot. Bonds3

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

2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 79028876) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID79028876
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(C)n2)c(Cl)c1
InChIInChI=1S/C10H11ClN4O2S/c1-6-3-4-9(8(11)5-6)18(16,17)15-10-12-7(2)13-14-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyFAHHLUXEYAKUQO-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2-bromo-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028844
2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028842
4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79027360
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 113456936
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2-chloro-N-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-4-methylbenzenesulfonamide
CID 119050347
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 79028887
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 79028876) is 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2n[nH]c(C)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is FAHHLUXEYAKUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-6-3-4-9(8(11)5-6)18(16,17)15-10-12-7(2)13-14-10/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79028876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).