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

C4H10ClNO2S — CID 10374866

IUPAC(2S)-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-/m1/s1
InChIKeyUUHJQPGQJWRGOQ-SCSAIBSYSA-N
MW171.65 g/mol
LogP0.15
Rot. Bonds3

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

(2S)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 10374866) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is (2S)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID10374866
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name(2S)-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-/m1/s1
InChIKeyUUHJQPGQJWRGOQ-SCSAIBSYSA-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'}

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Related Compounds

1-Butanesulfonamide, 4-chloro-
CID 18461
3-Chloropropane-1-sulfonamide
CID 13614818
3-Chloro-2-methylpropane-1-sulfonyl chloride
CID 12589216
5-Chloropentanesulfonamide
CID 9989962
3-Chlorobutane-1-sulfonamide
CID 13468213
3-Chloropentane-1-sulfonamide
CID 13468215
3-Chloro-2-methylpropane-1-sulfonyl fluoride
CID 165842305
3-Chloro-2,2-dimethylpropane-1-sulfonamide
CID 10012644
(2R)-3-chloro-2-methylpropane-1-sulfonamide
CID 10057972
3-chloro-N-methoxypropane-1-sulfonamide
CID 10375205
3-Chloro-2-methylpropane-1-sulfonamide
CID 10419616
4-Chloropentane-1-sulfonamide
CID 13468217

Frequently Asked Questions

What is the IUPAC name of (2S)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of (2S)-3-chloro-2-methylpropane-1-sulfonamide (CID 10374866) is (2S)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for (2S)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for (2S)-3-chloro-2-methylpropane-1-sulfonamide is C[C@H](CCl)CS(N)(=O)=O.
What is the InChIKey of (2S)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is UUHJQPGQJWRGOQ-SCSAIBSYSA-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-/m1/s1.
What are the key properties of (2S)-3-chloro-2-methylpropane-1-sulfonamide?
(2S)-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 (2S)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 10374866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).