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

C10H12N4O2S — CID 797067

IUPAC2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nn2cnnc2)c1
InChIInChI=1S/C10H12N4O2S/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyNHMOVUIEQRHQQY-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.83
Rot. Bonds3

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

2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 797067) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID797067
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nn2cnnc2)c1
InChIInChI=1S/C10H12N4O2S/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3
InChIKeyNHMOVUIEQRHQQY-UHFFFAOYSA-N
XLogP0.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 669300
1-((2,4,6-Trimethylphenyl)sulfonyl)-1H-1,2,4-triazole
CID 521491
N-(4H-1,2,4-triazol-4-yl)-2-naphthalenesulfonamide
CID 1477519
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
2,4,5-trimethyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 6462308
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole
CID 688072
Cambridge id 6680415
CID 23684918
1-phenyl-N-(4H-1,2,4-triazol-3-yl)methanesulfonamide
CID 24215620

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 797067) is 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nn2cnnc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is NHMOVUIEQRHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-8-3-4-9(2)10(5-8)17(15,16)13-14-6-11-12-7-14/h3-7,13H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).