3-chloro-N-ethylpropane-1-sulfonamide

C5H12ClNO2S — CID 10750033

IUPAC3-chloro-N-ethylpropane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCl
InChIInChI=1S/C5H12ClNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3
InChIKeySRFAODYLXWEWBY-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.55
Rot. Bonds5

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

3-chloro-N-ethylpropane-1-sulfonamide (PubChem CID 10750033) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 3-chloro-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethylpropane-1-sulfonamide
PubChem CID10750033
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name3-chloro-N-ethylpropane-1-sulfonamide
SMILESCCNS(=O)(=O)CCCCl
InChIInChI=1S/C5H12ClNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3
InChIKeySRFAODYLXWEWBY-UHFFFAOYSA-N
XLogP0.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methylbutane-1-sulfonamide
CID 10375164
3-chloro-N-methylpropane-1-sulfonamide
CID 10241253
3-chloro-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 43654160
1-Amino-3-chloro-2-methylsulfonylpropane
CID 12274475
3-Chloro-2-(methylsulfonyl)propylamine hydrobromide
CID 12274476
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214
N-amyl-4-chlorobutanesulfonamide
CID 13468220
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869
3-chloro-2-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 79585264
N-(3-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058512
N-(2-chloroethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058641
N-(2-chloropropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethylpropane-1-sulfonamide (CID 10750033) is 3-chloro-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethylpropane-1-sulfonamide is CCNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-ethylpropane-1-sulfonamide?
The InChIKey is SRFAODYLXWEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-2-7-10(8,9)5-3-4-6/h7H,2-5H2,1H3.
What are the key properties of 3-chloro-N-ethylpropane-1-sulfonamide?
3-chloro-N-ethylpropane-1-sulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 10750033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).