N-butyl-3-chloro-N-ethylpropane-1-sulfonamide

C9H20ClNO2S — CID 43654059

IUPACN-butyl-3-chloro-N-ethylpropane-1-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-5-8-11(4-2)14(12,13)9-6-7-10/h3-9H2,1-2H3
InChIKeyUKNVMWGTCRFDQV-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.07
Rot. Bonds8

About N-butyl-3-chloro-N-ethylpropane-1-sulfonamide

N-butyl-3-chloro-N-ethylpropane-1-sulfonamide (PubChem CID 43654059) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is N-butyl-3-chloro-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-ethylpropane-1-sulfonamide
PubChem CID43654059
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC NameN-butyl-3-chloro-N-ethylpropane-1-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-5-8-11(4-2)14(12,13)9-6-7-10/h3-9H2,1-2H3
InChIKeyUKNVMWGTCRFDQV-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-butyl-3-chloro-N-ethylpropane-1-sulfonamide 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-3-chloro-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-butyl-3-chloro-N-ethylpropane-1-sulfonamide (CID 43654059) is N-butyl-3-chloro-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-butyl-3-chloro-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-butyl-3-chloro-N-ethylpropane-1-sulfonamide is CCCCN(CC)S(=O)(=O)CCCCl.
What is the InChIKey of N-butyl-3-chloro-N-ethylpropane-1-sulfonamide?
The InChIKey is UKNVMWGTCRFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-3-5-8-11(4-2)14(12,13)9-6-7-10/h3-9H2,1-2H3.
What are the key properties of N-butyl-3-chloro-N-ethylpropane-1-sulfonamide?
N-butyl-3-chloro-N-ethylpropane-1-sulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 43654059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).