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

C16H16N4O2S — CID 35368037

IUPAC4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-13-7-9-14(10-8-13)23(21,22)19-15-5-3-4-6-16(15)20-12-17-11-18-20/h3-12,19H,2H2,1H3
InChIKeyNHBGUQCNRDWWGT-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.63
Rot. Bonds5

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

4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35368037) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35368037
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc1
InChIInChI=1S/C16H16N4O2S/c1-2-13-7-9-14(10-8-13)23(21,22)19-15-5-3-4-6-16(15)20-12-17-11-18-20/h3-12,19H,2H2,1H3
InChIKeyNHBGUQCNRDWWGT-UHFFFAOYSA-N
XLogP2.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367858
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
CID 35368048
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254
4-[[2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43711492
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55845079
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166356

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (CID 35368037) is 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is NHBGUQCNRDWWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-13-7-9-14(10-8-13)23(21,22)19-15-5-3-4-6-16(15)20-12-17-11-18-20/h3-12,19H,2H2,1H3.
What are the key properties of 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35368037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).