3-chloro-N,N-dimethylpropane-1-sulfonamide

C5H12ClNO2S — CID 10035328

IUPAC3-chloro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCCl
InChIInChI=1S/C5H12ClNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3
InChIKeyNCZGIOUJVDTSNN-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.51
Rot. Bonds4

About 3-chloro-N,N-dimethylpropane-1-sulfonamide

3-chloro-N,N-dimethylpropane-1-sulfonamide (PubChem CID 10035328) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 3-chloro-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-dimethylpropane-1-sulfonamide
PubChem CID10035328
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name3-chloro-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCCl
InChIInChI=1S/C5H12ClNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3
InChIKeyNCZGIOUJVDTSNN-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methylpropane-1-sulfonamide
CID 10241253
3-Chlorobutane-1-sulfonamide
CID 13468213
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214
3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
4-chloro-N,N-dimethylbutane-1-sulfonamide
CID 12589226
2-Chlorobutane-1-sulfonamide
CID 21149465
5-chloro-N,N-dimethylpentane-1-sulfonamide
CID 22111531
N,N-dimethyl-6-chlorohexanesulfonamide
CID 22111599
2-chloro-N,N-dimethylethanesulfonamide
CID 22111603
3-Chloropropanesulfonyl methylethylamine
CID 43654526
2-chloro-N,N-diethylethanesulfonamide
CID 53956278
2-chloro-N-ethyl-N-methylethanesulfonamide
CID 65775883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N,N-dimethylpropane-1-sulfonamide (CID 10035328) is 3-chloro-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is NCZGIOUJVDTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-7(2)10(8,9)5-3-4-6/h3-5H2,1-2H3.
What are the key properties of 3-chloro-N,N-dimethylpropane-1-sulfonamide?
3-chloro-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 10035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).