(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride

C10H10Cl2O2S — CID 84711412

IUPAC(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride
SMILESC=C(C)c1cc(Cl)cc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O2S/c1-7(2)9-3-8(4-10(11)5-9)6-15(12,13)14/h3-5H,1,6H2,2H3
InChIKeyZGSJVBFLLOGZIO-UHFFFAOYSA-N
MW265.16 g/mol
LogP3.44
Rot. Bonds3

About (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride

(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride (PubChem CID 84711412) has the molecular formula C10H10Cl2O2S and a molecular weight of 265.16 g/mol. Its IUPAC name is (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride
PubChem CID84711412
Molecular FormulaC10H10Cl2O2S
Molecular Weight265.16 g/mol
Exact Mass263.98
IUPAC Name(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride
SMILESC=C(C)c1cc(Cl)cc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H10Cl2O2S/c1-7(2)9-3-8(4-10(11)5-9)6-15(12,13)14/h3-5H,1,6H2,2H3
InChIKeyZGSJVBFLLOGZIO-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride (CID 84711412) is (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride is C=C(C)c1cc(Cl)cc(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride?
The InChIKey is ZGSJVBFLLOGZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2S/c1-7(2)9-3-8(4-10(11)5-9)6-15(12,13)14/h3-5H,1,6H2,2H3.
What are the key properties of (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride?
(3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride has a molecular weight of 265.16 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-prop-1-en-2-ylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84711412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).