3-butyl-4-chlorobenzenesulfonamide

C10H14ClNO2S — CID 134822122

IUPAC3-butyl-4-chlorobenzenesulfonamide
SMILESCCCCc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-2-3-4-8-7-9(15(12,13)14)5-6-10(8)11/h5-7H,2-4H2,1H3,(H2,12,13,14)
InChIKeyACMOAZAEWGZMNV-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.33
Rot. Bonds4

About 3-butyl-4-chlorobenzenesulfonamide

3-butyl-4-chlorobenzenesulfonamide (PubChem CID 134822122) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-butyl-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-butyl-4-chlorobenzenesulfonamide
PubChem CID134822122
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-butyl-4-chlorobenzenesulfonamide
SMILESCCCCc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-2-3-4-8-7-9(15(12,13)14)5-6-10(8)11/h5-7H,2-4H2,1H3,(H2,12,13,14)
InChIKeyACMOAZAEWGZMNV-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butyl-4-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-chlorobenzenesulfonamide?
The IUPAC name of 3-butyl-4-chlorobenzenesulfonamide (CID 134822122) is 3-butyl-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-butyl-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-butyl-4-chlorobenzenesulfonamide is CCCCc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 3-butyl-4-chlorobenzenesulfonamide?
The InChIKey is ACMOAZAEWGZMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-2-3-4-8-7-9(15(12,13)14)5-6-10(8)11/h5-7H,2-4H2,1H3,(H2,12,13,14).
What are the key properties of 3-butyl-4-chlorobenzenesulfonamide?
3-butyl-4-chlorobenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-chlorobenzenesulfonamide is sourced from PubChem (CID 134822122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).