2-chloro-N-propylethanesulfonamide

C5H12ClNO2S — CID 18942725

IUPAC2-chloro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-5H2,1H3
InChIKeyIVLATIVJWYLWTJ-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.55
Rot. Bonds5

About 2-chloro-N-propylethanesulfonamide

2-chloro-N-propylethanesulfonamide (PubChem CID 18942725) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-chloro-N-propylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-propylethanesulfonamide
PubChem CID18942725
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-chloro-N-propylethanesulfonamide
SMILESCCCNS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-5H2,1H3
InChIKeyIVLATIVJWYLWTJ-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
N-(2-Chloroethyl)methanesulphonamide
CID 89092
3-chloro-N-methylpropane-1-sulfonamide
CID 10241253
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
(S)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652573
(R)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652880
1-Chloro-N-propylmethanesulfonamide
CID 3016696
3-(2-Chloroethylsulfonyl)propan-1-amine
CID 11052335
1-Amino-3-chloro-2-methylsulfonylpropane
CID 12274475
3-Chloro-2-(methylsulfonyl)propylamine hydrobromide
CID 12274476
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214
3-chloro-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 63227869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propylethanesulfonamide?
The IUPAC name of 2-chloro-N-propylethanesulfonamide (CID 18942725) is 2-chloro-N-propylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-propylethanesulfonamide?
The canonical SMILES for 2-chloro-N-propylethanesulfonamide is CCCNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-propylethanesulfonamide?
The InChIKey is IVLATIVJWYLWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-2-4-7-10(8,9)5-3-6/h7H,2-5H2,1H3.
What are the key properties of 2-chloro-N-propylethanesulfonamide?
2-chloro-N-propylethanesulfonamide 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 2-chloro-N-propylethanesulfonamide is sourced from PubChem (CID 18942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).