4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride

C10H13ClO3S — CID 124528657

IUPAC4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
SMILESCC[C@H](OC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-10(14-2)8-4-6-9(7-5-8)15(11,12)13/h4-7,10H,3H2,1-2H3/t10-/m0/s1
InChIKeyUJGIIDYLRMXKSV-JTQLQIEISA-N
MW248.73 g/mol
LogP2.71
Rot. Bonds4

About 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride

4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride (PubChem CID 124528657) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
PubChem CID124528657
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
SMILESCC[C@H](OC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO3S/c1-3-10(14-2)8-4-6-9(7-5-8)15(11,12)13/h4-7,10H,3H2,1-2H3/t10-/m0/s1
InChIKeyUJGIIDYLRMXKSV-JTQLQIEISA-N
XLogP2.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride 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 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride (CID 124528657) is 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride is CC[C@H](OC)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride?
The InChIKey is UJGIIDYLRMXKSV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-3-10(14-2)8-4-6-9(7-5-8)15(11,12)13/h4-7,10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride?
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride is sourced from PubChem (CID 124528657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).