2-chloro-4-cyclopropylbenzenesulfonyl chloride

C9H8Cl2O2S — CID 46186536

IUPAC2-chloro-4-cyclopropylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C9H8Cl2O2S/c10-8-5-7(6-1-2-6)3-4-9(8)14(11,12)13/h3-6H,1-2H2
InChIKeyUJMRUPFOEYNUJI-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.14
Rot. Bonds2

About 2-chloro-4-cyclopropylbenzenesulfonyl chloride

2-chloro-4-cyclopropylbenzenesulfonyl chloride (PubChem CID 46186536) has the molecular formula C9H8Cl2O2S and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-chloro-4-cyclopropylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-cyclopropylbenzenesulfonyl chloride
PubChem CID46186536
Molecular FormulaC9H8Cl2O2S
Molecular Weight251.13 g/mol
Exact Mass249.96
IUPAC Name2-chloro-4-cyclopropylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C9H8Cl2O2S/c10-8-5-7(6-1-2-6)3-4-9(8)14(11,12)13/h3-6H,1-2H2
InChIKeyUJMRUPFOEYNUJI-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropylbenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-cyclopropylbenzenesulfonyl chloride (CID 46186536) is 2-chloro-4-cyclopropylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-cyclopropylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-cyclopropylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclopropylbenzenesulfonyl chloride?
The InChIKey is UJMRUPFOEYNUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2S/c10-8-5-7(6-1-2-6)3-4-9(8)14(11,12)13/h3-6H,1-2H2.
What are the key properties of 2-chloro-4-cyclopropylbenzenesulfonyl chloride?
2-chloro-4-cyclopropylbenzenesulfonyl chloride has a molecular weight of 251.13 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropylbenzenesulfonyl chloride is sourced from PubChem (CID 46186536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).