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

C11H14N4O2S — CID 15668303

IUPAC4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cncn2)cc1
InChIInChI=1S/C11H14N4O2S/c1-10-2-4-11(5-3-10)18(16,17)14-6-7-15-9-12-8-13-15/h2-5,8-9,14H,6-7H2,1H3
InChIKeyJGDMUNIYNOLCCQ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.57
Rot. Bonds5

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

4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 15668303) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID15668303
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cncn2)cc1
InChIInChI=1S/C11H14N4O2S/c1-10-2-4-11(5-3-10)18(16,17)14-6-7-15-9-12-8-13-15/h2-5,8-9,14H,6-7H2,1H3
InChIKeyJGDMUNIYNOLCCQ-UHFFFAOYSA-N
XLogP0.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15943551
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-[2-(1,2,4-triazol-1-yl)ethyl]methanesulfonamide
CID 155316060
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 16877071
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 19581232
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107498018
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide (CID 15668303) is 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2cncn2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JGDMUNIYNOLCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-10-2-4-11(5-3-10)18(16,17)14-6-7-15-9-12-8-13-15/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 15668303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).