2,3-dichloropropane-1-sulfonamide

C3H7Cl2NO2S — CID 87254132

IUPAC2,3-dichloropropane-1-sulfonamide
SMILESNS(=O)(=O)CC(Cl)CCl
InChIInChI=1S/C3H7Cl2NO2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2,(H2,6,7,8)
InChIKeyVEYJNZGLUAGITE-UHFFFAOYSA-N
MW192.07 g/mol
LogP0.12
Rot. Bonds3

About 2,3-dichloropropane-1-sulfonamide

2,3-dichloropropane-1-sulfonamide (PubChem CID 87254132) has the molecular formula C3H7Cl2NO2S and a molecular weight of 192.07 g/mol. Its IUPAC name is 2,3-dichloropropane-1-sulfonamide.

Molecular Properties

Compound Name2,3-dichloropropane-1-sulfonamide
PubChem CID87254132
Molecular FormulaC3H7Cl2NO2S
Molecular Weight192.07 g/mol
Exact Mass190.96
IUPAC Name2,3-dichloropropane-1-sulfonamide
SMILESNS(=O)(=O)CC(Cl)CCl
InChIInChI=1S/C3H7Cl2NO2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2,(H2,6,7,8)
InChIKeyVEYJNZGLUAGITE-UHFFFAOYSA-N
XLogP0.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 50.12
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 2,3-dichloropropane-1-sulfonamide?
The IUPAC name of 2,3-dichloropropane-1-sulfonamide (CID 87254132) is 2,3-dichloropropane-1-sulfonamide.
What is the SMILES notation for 2,3-dichloropropane-1-sulfonamide?
The canonical SMILES for 2,3-dichloropropane-1-sulfonamide is NS(=O)(=O)CC(Cl)CCl.
What is the InChIKey of 2,3-dichloropropane-1-sulfonamide?
The InChIKey is VEYJNZGLUAGITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2NO2S/c4-1-3(5)2-9(6,7)8/h3H,1-2H2,(H2,6,7,8).
What are the key properties of 2,3-dichloropropane-1-sulfonamide?
2,3-dichloropropane-1-sulfonamide has a molecular weight of 192.07 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropropane-1-sulfonamide is sourced from PubChem (CID 87254132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).