2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

C13H16N2O2S — CID 42942284

IUPAC2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-10(11-7-8-11)15(2)18(16,17)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3
InChIKeyOJIZEUMKPABYCC-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.98
Rot. Bonds4

About 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide

2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (PubChem CID 42942284) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
PubChem CID42942284
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-10(11-7-8-11)15(2)18(16,17)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3
InChIKeyOJIZEUMKPABYCC-UHFFFAOYSA-N
XLogP1.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 17491309
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
CID 146146375

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide (CID 42942284) is 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
The InChIKey is OJIZEUMKPABYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(11-7-8-11)15(2)18(16,17)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3.
What are the key properties of 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide?
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 42942284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).