3-acetyl-N-cyclopropylbenzenesulfonamide

C11H13NO3S — CID 2562312

IUPAC3-acetyl-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-3-2-4-11(7-9)16(14,15)12-10-5-6-10/h2-4,7,10,12H,5-6H2,1H3
InChIKeyGJTMSHKGCAACOH-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.33
Rot. Bonds4

About 3-acetyl-N-cyclopropylbenzenesulfonamide

3-acetyl-N-cyclopropylbenzenesulfonamide (PubChem CID 2562312) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-acetyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-cyclopropylbenzenesulfonamide
PubChem CID2562312
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-acetyl-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-3-2-4-11(7-9)16(14,15)12-10-5-6-10/h2-4,7,10,12H,5-6H2,1H3
InChIKeyGJTMSHKGCAACOH-UHFFFAOYSA-N
XLogP1.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-cyclopropylbenzenesulfonamide (CID 2562312) is 3-acetyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-cyclopropylbenzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-acetyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is GJTMSHKGCAACOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(13)9-3-2-4-11(7-9)16(14,15)12-10-5-6-10/h2-4,7,10,12H,5-6H2,1H3.
What are the key properties of 3-acetyl-N-cyclopropylbenzenesulfonamide?
3-acetyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 2562312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).