(3-chlorophenyl)methanesulfonyl chloride

C7H6Cl2O2S — CID 2757802

IUPAC(3-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(Cl)c1
InChIInChI=1S/C7H6Cl2O2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChIKeyLXTGNVLBPVVMSL-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.41
Rot. Bonds2

About (3-chlorophenyl)methanesulfonyl chloride

(3-chlorophenyl)methanesulfonyl chloride (PubChem CID 2757802) has the molecular formula C7H6Cl2O2S and a molecular weight of 225.10 g/mol. Its IUPAC name is (3-chlorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chlorophenyl)methanesulfonyl chloride
PubChem CID2757802
Molecular FormulaC7H6Cl2O2S
Molecular Weight225.10 g/mol
Exact Mass223.95
IUPAC Name(3-chlorophenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(Cl)c1
InChIInChI=1S/C7H6Cl2O2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChIKeyLXTGNVLBPVVMSL-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetic acid
CID 112540592
2-[S-[(3-chlorophenyl)methyl]-N-methylsulfonimidoyl]acetonitrile
CID 112540664
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
2-[(3-chlorophenyl)methylsulfonimidoyl]acetonitrile
CID 112540671
lithium (3-chlorophenyl)methylazanide
CID 142040890
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202387
4-[(3-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 47162176
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-chlorophenyl)methanesulfonyl chloride (CID 2757802) is (3-chlorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chlorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chlorophenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methanesulfonyl chloride?
The InChIKey is LXTGNVLBPVVMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2.
What are the key properties of (3-chlorophenyl)methanesulfonyl chloride?
(3-chlorophenyl)methanesulfonyl chloride has a molecular weight of 225.10 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 2757802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).