1-chloro-N-propan-2-ylethanesulfonamide

C5H12ClNO2S — CID 171409821

IUPAC1-chloro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4(2)7-10(8,9)5(3)6/h4-5,7H,1-3H3
InChIKeyLEQJMFHHHMSVNA-UHFFFAOYSA-N
MW185.68 g/mol
LogP0.90
Rot. Bonds3

About 1-chloro-N-propan-2-ylethanesulfonamide

1-chloro-N-propan-2-ylethanesulfonamide (PubChem CID 171409821) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 1-chloro-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-propan-2-ylethanesulfonamide
PubChem CID171409821
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name1-chloro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(C)Cl
InChIInChI=1S/C5H12ClNO2S/c1-4(2)7-10(8,9)5(3)6/h4-5,7H,1-3H3
InChIKeyLEQJMFHHHMSVNA-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-propan-2-ylethanesulfonamide?
The IUPAC name of 1-chloro-N-propan-2-ylethanesulfonamide (CID 171409821) is 1-chloro-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 1-chloro-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 1-chloro-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)C(C)Cl.
What is the InChIKey of 1-chloro-N-propan-2-ylethanesulfonamide?
The InChIKey is LEQJMFHHHMSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-4(2)7-10(8,9)5(3)6/h4-5,7H,1-3H3.
What are the key properties of 1-chloro-N-propan-2-ylethanesulfonamide?
1-chloro-N-propan-2-ylethanesulfonamide has a molecular weight of 185.68 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 171409821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).