1,1-dichloro-N-propan-2-ylmethanesulfonamide

C4H9Cl2NO2S — CID 12943923

IUPAC1,1-dichloro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(Cl)Cl
InChIInChI=1S/C4H9Cl2NO2S/c1-3(2)7-10(8,9)4(5)6/h3-4,7H,1-2H3
InChIKeySLCWLSXSSXQOFN-UHFFFAOYSA-N
MW206.09 g/mol
LogP1.08
Rot. Bonds3

About 1,1-dichloro-N-propan-2-ylmethanesulfonamide

1,1-dichloro-N-propan-2-ylmethanesulfonamide (PubChem CID 12943923) has the molecular formula C4H9Cl2NO2S and a molecular weight of 206.09 g/mol. Its IUPAC name is 1,1-dichloro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1-dichloro-N-propan-2-ylmethanesulfonamide
PubChem CID12943923
Molecular FormulaC4H9Cl2NO2S
Molecular Weight206.09 g/mol
Exact Mass204.97
IUPAC Name1,1-dichloro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(Cl)Cl
InChIInChI=1S/C4H9Cl2NO2S/c1-3(2)7-10(8,9)4(5)6/h3-4,7H,1-2H3
InChIKeySLCWLSXSSXQOFN-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1,1-dichloro-N-propan-2-ylmethanesulfonamide (CID 12943923) is 1,1-dichloro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,1-dichloro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1,1-dichloro-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-N-propan-2-ylmethanesulfonamide?
The InChIKey is SLCWLSXSSXQOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2NO2S/c1-3(2)7-10(8,9)4(5)6/h3-4,7H,1-2H3.
What are the key properties of 1,1-dichloro-N-propan-2-ylmethanesulfonamide?
1,1-dichloro-N-propan-2-ylmethanesulfonamide has a molecular weight of 206.09 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 12943923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).