4-chloro-2-cyclopropylbenzenesulfonyl chloride

C9H8Cl2O2S — CID 87439161

IUPAC4-chloro-2-cyclopropylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)cc1C1CC1
InChIInChI=1S/C9H8Cl2O2S/c10-7-3-4-9(14(11,12)13)8(5-7)6-1-2-6/h3-6H,1-2H2
InChIKeyFXFKQLQIDOKMQF-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-2-cyclopropylbenzenesulfonyl chloride

4-chloro-2-cyclopropylbenzenesulfonyl chloride (PubChem CID 87439161) has the molecular formula C9H8Cl2O2S and a molecular weight of 251.13 g/mol. Its IUPAC name is 4-chloro-2-cyclopropylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-cyclopropylbenzenesulfonyl chloride
PubChem CID87439161
Molecular FormulaC9H8Cl2O2S
Molecular Weight251.13 g/mol
Exact Mass249.96
IUPAC Name4-chloro-2-cyclopropylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)cc1C1CC1
InChIInChI=1S/C9H8Cl2O2S/c10-7-3-4-9(14(11,12)13)8(5-7)6-1-2-6/h3-6H,1-2H2
InChIKeyFXFKQLQIDOKMQF-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 4-chloro-2-cyclopropylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-cyclopropylbenzenesulfonyl chloride (CID 87439161) is 4-chloro-2-cyclopropylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-cyclopropylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-cyclopropylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)cc1C1CC1.
What is the InChIKey of 4-chloro-2-cyclopropylbenzenesulfonyl chloride?
The InChIKey is FXFKQLQIDOKMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2S/c10-7-3-4-9(14(11,12)13)8(5-7)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropylbenzenesulfonyl chloride?
4-chloro-2-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 4-chloro-2-cyclopropylbenzenesulfonyl chloride is sourced from PubChem (CID 87439161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).