3-cyano-N-propan-2-ylbenzenesulfonamide

C10H12N2O2S — CID 7937969

IUPAC3-cyano-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3
InChIKeyOKKAJYBALWPQJM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.24
Rot. Bonds3

About 3-cyano-N-propan-2-ylbenzenesulfonamide

3-cyano-N-propan-2-ylbenzenesulfonamide (PubChem CID 7937969) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-cyano-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-ylbenzenesulfonamide
PubChem CID7937969
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-cyano-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3
InChIKeyOKKAJYBALWPQJM-UHFFFAOYSA-N
XLogP1.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-propan-2-ylbenzenesulfonamide (CID 7937969) is 3-cyano-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OKKAJYBALWPQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3.
What are the key properties of 3-cyano-N-propan-2-ylbenzenesulfonamide?
3-cyano-N-propan-2-ylbenzenesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 7937969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).