N-butyl-4-chloro-N-ethylbenzenesulfonamide

C12H18ClNO2S — CID 2164018

IUPACN-butyl-4-chloro-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyOYAUHNGKEYTHRQ-UHFFFAOYSA-N
MW275.80 g/mol
LogP3.15
Rot. Bonds6

About N-butyl-4-chloro-N-ethylbenzenesulfonamide

N-butyl-4-chloro-N-ethylbenzenesulfonamide (PubChem CID 2164018) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is N-butyl-4-chloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-chloro-N-ethylbenzenesulfonamide
PubChem CID2164018
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC NameN-butyl-4-chloro-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3
InChIKeyOYAUHNGKEYTHRQ-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-4-chloro-N-ethylbenzenesulfonamide 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 N-butyl-4-chloro-N-ethylbenzenesulfonamide?
The IUPAC name of N-butyl-4-chloro-N-ethylbenzenesulfonamide (CID 2164018) is N-butyl-4-chloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-chloro-N-ethylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-chloro-N-ethylbenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-4-chloro-N-ethylbenzenesulfonamide?
The InChIKey is OYAUHNGKEYTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-3-5-10-14(4-2)17(15,16)12-8-6-11(13)7-9-12/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-4-chloro-N-ethylbenzenesulfonamide?
N-butyl-4-chloro-N-ethylbenzenesulfonamide has a molecular weight of 275.80 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 2164018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).