(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride

C10H10BrClO2S — CID 117494295

IUPAC(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(C2CC2)c(Br)c1
InChIInChI=1S/C10H10BrClO2S/c11-10-5-7(6-15(12,13)14)1-4-9(10)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyQJLDANSZZQVBJK-UHFFFAOYSA-N
MW309.61 g/mol
LogP3.40
Rot. Bonds3

About (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride

(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride (PubChem CID 117494295) has the molecular formula C10H10BrClO2S and a molecular weight of 309.61 g/mol. Its IUPAC name is (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride
PubChem CID117494295
Molecular FormulaC10H10BrClO2S
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc(C2CC2)c(Br)c1
InChIInChI=1S/C10H10BrClO2S/c11-10-5-7(6-15(12,13)14)1-4-9(10)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyQJLDANSZZQVBJK-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride (CID 117494295) is (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc(C2CC2)c(Br)c1.
What is the InChIKey of (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride?
The InChIKey is QJLDANSZZQVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2S/c11-10-5-7(6-15(12,13)14)1-4-9(10)8-2-3-8/h1,4-5,8H,2-3,6H2.
What are the key properties of (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride?
(3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride has a molecular weight of 309.61 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-cyclopropylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117494295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).