4-acetyl-N-cyclopropylbenzenesulfonamide

C11H13NO3S — CID 2103238

IUPAC4-acetyl-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-2-6-11(7-3-9)16(14,15)12-10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3
InChIKeyZTAUEPZRKPEAKC-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.33
Rot. Bonds4

About 4-acetyl-N-cyclopropylbenzenesulfonamide

4-acetyl-N-cyclopropylbenzenesulfonamide (PubChem CID 2103238) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-acetyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopropylbenzenesulfonamide
PubChem CID2103238
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-acetyl-N-cyclopropylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C11H13NO3S/c1-8(13)9-2-6-11(7-3-9)16(14,15)12-10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3
InChIKeyZTAUEPZRKPEAKC-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 4-acetyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-cyclopropylbenzenesulfonamide (CID 2103238) is 4-acetyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-cyclopropylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-acetyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is ZTAUEPZRKPEAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-8(13)9-2-6-11(7-3-9)16(14,15)12-10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3.
What are the key properties of 4-acetyl-N-cyclopropylbenzenesulfonamide?
4-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 4-acetyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 2103238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).