(2R)-3-chloro-2-methylpropane-1-sulfonamide

C4H10ClNO2S — CID 10057972

IUPAC(2R)-3-chloro-2-methylpropane-1-sulfonamide
SMILESC[C@@H](CCl)CS(N)(=O)=O
InChIInChI=1S/C4H10ClNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1
InChIKeyUUHJQPGQJWRGOQ-BYPYZUCNSA-N
MW171.65 g/mol
LogP0.15
Rot. Bonds3

About (2R)-3-chloro-2-methylpropane-1-sulfonamide

(2R)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 10057972) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is (2R)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID10057972
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name(2R)-3-chloro-2-methylpropane-1-sulfonamide
SMILESC[C@@H](CCl)CS(N)(=O)=O
InChIInChI=1S/C4H10ClNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1
InChIKeyUUHJQPGQJWRGOQ-BYPYZUCNSA-N
XLogP0.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-3-chloro-2-methylpropane-1-sulfonamide 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 (2R)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of (2R)-3-chloro-2-methylpropane-1-sulfonamide (CID 10057972) is (2R)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for (2R)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for (2R)-3-chloro-2-methylpropane-1-sulfonamide is C[C@@H](CCl)CS(N)(=O)=O.
What is the InChIKey of (2R)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is UUHJQPGQJWRGOQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)/t4-/m0/s1.
What are the key properties of (2R)-3-chloro-2-methylpropane-1-sulfonamide?
(2R)-3-chloro-2-methylpropane-1-sulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 10057972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).