4-cyano-N-cyclopropylbenzenesulfonamide

C10H10N2O2S — CID 2529983

IUPAC4-cyano-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H10N2O2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4H2
InChIKeyHZBDUBMSTOBGML-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.00
Rot. Bonds3

About 4-cyano-N-cyclopropylbenzenesulfonamide

4-cyano-N-cyclopropylbenzenesulfonamide (PubChem CID 2529983) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-cyano-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropylbenzenesulfonamide
PubChem CID2529983
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-cyano-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C10H10N2O2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4H2
InChIKeyHZBDUBMSTOBGML-UHFFFAOYSA-N
XLogP1.00
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopropylbenzenesulfonamide (CID 2529983) is 4-cyano-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopropylbenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopropylbenzenesulfonamide?
The InChIKey is HZBDUBMSTOBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4H2.
What are the key properties of 4-cyano-N-cyclopropylbenzenesulfonamide?
4-cyano-N-cyclopropylbenzenesulfonamide has a molecular weight of 222.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 2529983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).