4-cyano-N-ethylbenzenesulfonamide

C9H10N2O2S — CID 3086006

IUPAC4-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H10N2O2S/c1-2-11-14(12,13)9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3
InChIKeyCBGXSOAPJLPXIB-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.86
Rot. Bonds3

About 4-cyano-N-ethylbenzenesulfonamide

4-cyano-N-ethylbenzenesulfonamide (PubChem CID 3086006) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-cyano-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethylbenzenesulfonamide
PubChem CID3086006
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4-cyano-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C9H10N2O2S/c1-2-11-14(12,13)9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3
InChIKeyCBGXSOAPJLPXIB-UHFFFAOYSA-N
XLogP0.86
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-ethylbenzenesulfonamide (CID 3086006) is 4-cyano-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethylbenzenesulfonamide?
The InChIKey is CBGXSOAPJLPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-11-14(12,13)9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3.
What are the key properties of 4-cyano-N-ethylbenzenesulfonamide?
4-cyano-N-ethylbenzenesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethylbenzenesulfonamide is sourced from PubChem (CID 3086006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).