4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

C17H15N5O2S — CID 39341757

IUPAC4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15N5O2S/c1-2-22-12-19-20-17(22)14-4-3-5-15(10-14)21-25(23,24)16-8-6-13(11-18)7-9-16/h3-10,12,21H,2H2,1H3
InChIKeyHDQIHLPBIQOFBY-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.64
Rot. Bonds5

About 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 39341757) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID39341757
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H15N5O2S/c1-2-22-12-19-20-17(22)14-4-3-5-15(10-14)21-25(23,24)16-8-6-13(11-18)7-9-16/h3-10,12,21H,2H2,1H3
InChIKeyHDQIHLPBIQOFBY-UHFFFAOYSA-N
XLogP2.64
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzamide
CID 46547591
4-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 39341746
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
4-fluoro-3-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 46972234
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
CID 75414493
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 122065291
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 32581647
cis-(1S,3R)-3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065292
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 39341757) is 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is HDQIHLPBIQOFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-2-22-12-19-20-17(22)14-4-3-5-15(10-14)21-25(23,24)16-8-6-13(11-18)7-9-16/h3-10,12,21H,2H2,1H3.
What are the key properties of 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39341757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).