N-chloro-N-propylethanesulfonamide

C5H12ClNO2S — CID 118574455

IUPACN-chloro-N-propylethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CC
InChIInChI=1S/C5H12ClNO2S/c1-3-5-7(6)10(8,9)4-2/h3-5H2,1-2H3
InChIKeyNUEYWWNDVSDSNI-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.20
Rot. Bonds4

About N-chloro-N-propylethanesulfonamide

N-chloro-N-propylethanesulfonamide (PubChem CID 118574455) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-chloro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-propylethanesulfonamide
PubChem CID118574455
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-chloro-N-propylethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CC
InChIInChI=1S/C5H12ClNO2S/c1-3-5-7(6)10(8,9)4-2/h3-5H2,1-2H3
InChIKeyNUEYWWNDVSDSNI-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-fluoro-N-propylpropane-1-sulfonamide
CID 118574466
N-chloro-N-ethyl-2-fluoroethanesulfonamide
CID 118574501
N-chloro-2-fluoro-N-propylethanesulfonamide
CID 118574524
N-fluoro-N-propylethanesulfonamide
CID 118574582
N-ethyl-N-fluoropropane-1-sulfonamide
CID 118574669
N-chloro-N-methylbutanesulfonamide
CID 13614819
N,2-dichloro-N-propylethanesulfonamide
CID 57142400
N-chloro-N-propylethenesulfonamide
CID 57166865
N-ethyl-N-methylpropane-1-sulfonamide
CID 59555461
N-ethyl-N-methylpropane-2-sulfonamide
CID 59654438
N-chloro-N-ethylethanesulfonamide
CID 88427481
N-ethyl-N-iodoethanesulfonamide
CID 117906034

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-propylethanesulfonamide?
The IUPAC name of N-chloro-N-propylethanesulfonamide (CID 118574455) is N-chloro-N-propylethanesulfonamide.
What is the SMILES notation for N-chloro-N-propylethanesulfonamide?
The canonical SMILES for N-chloro-N-propylethanesulfonamide is CCCN(Cl)S(=O)(=O)CC.
What is the InChIKey of N-chloro-N-propylethanesulfonamide?
The InChIKey is NUEYWWNDVSDSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-3-5-7(6)10(8,9)4-2/h3-5H2,1-2H3.
What are the key properties of N-chloro-N-propylethanesulfonamide?
N-chloro-N-propylethanesulfonamide has a molecular weight of 185.68 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-propylethanesulfonamide is sourced from PubChem (CID 118574455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).