4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C9H10N4O2S — CID 561405

IUPAC4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)12-13-6-10-11-7-13/h2-7,12H,1H3
InChIKeyKSSBPINERPXLSX-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.52
Rot. Bonds3

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

4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 561405) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID561405
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)12-13-6-10-11-7-13/h2-7,12H,1H3
InChIKeyKSSBPINERPXLSX-UHFFFAOYSA-N
XLogP0.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzenesulfonamide
CID 1599323
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
1-(Toluene-4-sulfonylmethyl)-1H-tetrazole
CID 649853
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
4-Methyl-N-(2-[1,2,4]triazol-1-yl-propyl)-benzenesulfonamide
CID 6499838
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 561405) is 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is KSSBPINERPXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)12-13-6-10-11-7-13/h2-7,12H,1H3.
What are the key properties of 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 561405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).