N-chloro-N-propylethenesulfonamide

C5H10ClNO2S — CID 57166865

IUPACN-chloro-N-propylethenesulfonamide
SMILESC=CS(=O)(=O)N(Cl)CCC
InChIInChI=1S/C5H10ClNO2S/c1-3-5-7(6)10(8,9)4-2/h4H,2-3,5H2,1H3
InChIKeyCQUREIXEGADDED-UHFFFAOYSA-N
MW183.66 g/mol
LogP1.33
Rot. Bonds4

About N-chloro-N-propylethenesulfonamide

N-chloro-N-propylethenesulfonamide (PubChem CID 57166865) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is N-chloro-N-propylethenesulfonamide.

Molecular Properties

Compound NameN-chloro-N-propylethenesulfonamide
PubChem CID57166865
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC NameN-chloro-N-propylethenesulfonamide
SMILESC=CS(=O)(=O)N(Cl)CCC
InChIInChI=1S/C5H10ClNO2S/c1-3-5-7(6)10(8,9)4-2/h4H,2-3,5H2,1H3
InChIKeyCQUREIXEGADDED-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-propylethenesulfonamide?
The IUPAC name of N-chloro-N-propylethenesulfonamide (CID 57166865) is N-chloro-N-propylethenesulfonamide.
What is the SMILES notation for N-chloro-N-propylethenesulfonamide?
The canonical SMILES for N-chloro-N-propylethenesulfonamide is C=CS(=O)(=O)N(Cl)CCC.
What is the InChIKey of N-chloro-N-propylethenesulfonamide?
The InChIKey is CQUREIXEGADDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-3-5-7(6)10(8,9)4-2/h4H,2-3,5H2,1H3.
What are the key properties of N-chloro-N-propylethenesulfonamide?
N-chloro-N-propylethenesulfonamide has a molecular weight of 183.66 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-propylethenesulfonamide is sourced from PubChem (CID 57166865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).