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

C13H16N2O2S — CID 103659810

IUPAC3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-5-3-4-10(6-12)8-14/h3-6,11,15H,7,9H2,1-2H3
InChIKeyCJXRHRRRDPDDGV-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds4

About 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide

3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103659810) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103659810
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-5-3-4-10(6-12)8-14/h3-6,11,15H,7,9H2,1-2H3
InChIKeyCJXRHRRRDPDDGV-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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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
CID 114108635
N-(1-adamantylmethyl)-3-cyanobenzenesulfonamide
CID 7509882
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
N-[(1-aminocyclobutyl)methyl]-3-cyanobenzenesulfonamide
CID 113411802
2-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103833642
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
N-[(1-aminocyclohexyl)methyl]-3-cyanobenzenesulfonamide
CID 43598192
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
3-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 47023234
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide (CID 103659810) is 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is CC1(C)CC1CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is CJXRHRRRDPDDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2)7-11(13)9-15-18(16,17)12-5-3-4-10(6-12)8-14/h3-6,11,15H,7,9H2,1-2H3.
What are the key properties of 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide?
3-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 3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103659810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).