2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C10H12N4O2S — CID 55153733

IUPAC2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H12N4O2S/c1-7-3-4-8(2)9(5-7)17(15,16)14-10-11-6-12-13-10/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyWECWUEFCUAOCBQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.22
Rot. Bonds3

About 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 55153733) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID55153733
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C10H12N4O2S/c1-7-3-4-8(2)9(5-7)17(15,16)14-10-11-6-12-13-10/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyWECWUEFCUAOCBQ-UHFFFAOYSA-N
XLogP1.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62945149
2,4-dimethyl-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 122147055
2,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531495
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 83093255
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 66486115
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153923
4-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 116527788
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 55153733) is 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is WECWUEFCUAOCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-3-4-8(2)9(5-7)17(15,16)14-10-11-6-12-13-10/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 55153733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).