3-chloro-N-prop-2-enylpropane-1-sulfonamide

C6H12ClNO2S — CID 10465323

IUPAC3-chloro-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CCCCl
InChIInChI=1S/C6H12ClNO2S/c1-2-5-8-11(9,10)6-3-4-7/h2,8H,1,3-6H2
InChIKeyDBJUGUQSOZUZQW-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.72
Rot. Bonds6

About 3-chloro-N-prop-2-enylpropane-1-sulfonamide

3-chloro-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 10465323) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 3-chloro-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-prop-2-enylpropane-1-sulfonamide
PubChem CID10465323
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name3-chloro-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCNS(=O)(=O)CCCCl
InChIInChI=1S/C6H12ClNO2S/c1-2-5-8-11(9,10)6-3-4-7/h2,8H,1,3-6H2
InChIKeyDBJUGUQSOZUZQW-UHFFFAOYSA-N
XLogP0.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-prop-2-enylpropane-1-sulfonamide (CID 10465323) is 3-chloro-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-prop-2-enylpropane-1-sulfonamide is C=CCNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is DBJUGUQSOZUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-2-5-8-11(9,10)6-3-4-7/h2,8H,1,3-6H2.
What are the key properties of 3-chloro-N-prop-2-enylpropane-1-sulfonamide?
3-chloro-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 197.69 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 10465323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).