4-(2-methylpropyl)benzenesulfonyl chloride

C10H13ClO2S — CID 14574359

IUPAC4-(2-methylpropyl)benzenesulfonyl chloride
SMILESCC(C)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyFNONSGOSEKJJGP-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.81
Rot. Bonds3

About 4-(2-methylpropyl)benzenesulfonyl chloride

4-(2-methylpropyl)benzenesulfonyl chloride (PubChem CID 14574359) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(2-methylpropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-methylpropyl)benzenesulfonyl chloride
PubChem CID14574359
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name4-(2-methylpropyl)benzenesulfonyl chloride
SMILESCC(C)Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyFNONSGOSEKJJGP-UHFFFAOYSA-N
XLogP2.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2-methylpropyl)benzenesulfonyl chloride (CID 14574359) is 4-(2-methylpropyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2-methylpropyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2-methylpropyl)benzenesulfonyl chloride is CC(C)Cc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(2-methylpropyl)benzenesulfonyl chloride?
The InChIKey is FNONSGOSEKJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)benzenesulfonyl chloride?
4-(2-methylpropyl)benzenesulfonyl chloride has a molecular weight of 232.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)benzenesulfonyl chloride is sourced from PubChem (CID 14574359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).