(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride

C4H8Cl2O2S — CID 10375280

IUPAC(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
SMILESC[C@H](CCl)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyYLVZLYQJWRKACU-SCSAIBSYSA-N
MW191.08 g/mol
LogP1.43
Rot. Bonds3

About (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride

(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride (PubChem CID 10375280) has the molecular formula C4H8Cl2O2S and a molecular weight of 191.08 g/mol. Its IUPAC name is (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
PubChem CID10375280
Molecular FormulaC4H8Cl2O2S
Molecular Weight191.08 g/mol
Exact Mass189.96
IUPAC Name(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
SMILESC[C@H](CCl)CS(=O)(=O)Cl
InChIInChI=1S/C4H8Cl2O2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyYLVZLYQJWRKACU-SCSAIBSYSA-N
XLogP1.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.08
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride (CID 10375280) is (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride is C[C@H](CCl)CS(=O)(=O)Cl.
What is the InChIKey of (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride?
The InChIKey is YLVZLYQJWRKACU-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8Cl2O2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride?
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride has a molecular weight of 191.08 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-chloro-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 10375280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).