2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide

C11H12N2O2S — CID 43247485

IUPAC2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H12N2O2S/c1-13(10-6-7-10)16(14,15)11-5-3-2-4-9(11)8-12/h2-5,10H,6-7H2,1H3
InChIKeyYDVBLAMJHYYLMI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.34
Rot. Bonds3

About 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide

2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 43247485) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID43247485
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C11H12N2O2S/c1-13(10-6-7-10)16(14,15)11-5-3-2-4-9(11)8-12/h2-5,10H,6-7H2,1H3
InChIKeyYDVBLAMJHYYLMI-UHFFFAOYSA-N
XLogP1.34
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 17491309
N-butan-2-yl-2-cyano-N-methylbenzenesulfonamide
CID 43273076
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-cyclohexyl-2-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 60823066
3-amino-N-cyclopropyl-N-methyl-2-nitrobenzenesulfonamide
CID 112675309

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide (CID 43247485) is 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is YDVBLAMJHYYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13(10-6-7-10)16(14,15)11-5-3-2-4-9(11)8-12/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide?
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43247485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).