2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide

C13H16N2O2S — CID 103833642

IUPAC2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-6-4-3-5-10(12)8-14/h3-6,11,15H,7,9H2,1-2H3
InChIKeyKAHZMHVAAMUAFJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds4

About 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide

2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103833642) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103833642
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-6-4-3-5-10(12)8-14/h3-6,11,15H,7,9H2,1-2H3
InChIKeyKAHZMHVAAMUAFJ-UHFFFAOYSA-N
XLogP1.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (CID 103833642) is 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is CC1(C)CC1CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is KAHZMHVAAMUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-6-4-3-5-10(12)8-14/h3-6,11,15H,7,9H2,1-2H3.
What are the key properties of 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103833642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).