3-chloro-N-methylpropane-1-sulfonamide

C4H10ClNO2S — CID 10241253

IUPAC3-chloro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCl
InChIInChI=1S/C4H10ClNO2S/c1-6-9(7,8)4-2-3-5/h6H,2-4H2,1H3
InChIKeyHNFPTYFTHBATEF-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.16
Rot. Bonds4

About 3-chloro-N-methylpropane-1-sulfonamide

3-chloro-N-methylpropane-1-sulfonamide (PubChem CID 10241253) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 3-chloro-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methylpropane-1-sulfonamide
PubChem CID10241253
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name3-chloro-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCCl
InChIInChI=1S/C4H10ClNO2S/c1-6-9(7,8)4-2-3-5/h6H,2-4H2,1H3
InChIKeyHNFPTYFTHBATEF-UHFFFAOYSA-N
XLogP0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-methylpropane-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

Related Compounds

4-chloro-N-methylbutane-1-sulfonamide
CID 10375164
3-chloro-N,N-dimethylpropane-1-sulfonamide
CID 10035328
3-Chlorobutane-1-sulfonamide
CID 13468213
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214
3-Chloropentane-1-sulfonamide
CID 13468215
3-chloro-N-methylhexane-1-sulfonamide
CID 13468216
3-chloro-N-isopropylpropane-1-sulfonamide
CID 10104225
3-chloro-N-propylpropane-1-sulfonamide
CID 10397875
3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
CID 10560557
N-ethyl-3-chloro propylsulfonamide
CID 10750033
2-chloro-N-propylethanesulfonamide
CID 18942725
2-chloro-N-ethylethane-1-sulfonamide
CID 19089078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methylpropane-1-sulfonamide (CID 10241253) is 3-chloro-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methylpropane-1-sulfonamide?
The InChIKey is HNFPTYFTHBATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-6-9(7,8)4-2-3-5/h6H,2-4H2,1H3.
What are the key properties of 3-chloro-N-methylpropane-1-sulfonamide?
3-chloro-N-methylpropane-1-sulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 10241253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).