[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride

C8H8Cl2O4S2 — CID 18676560

IUPAC[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H8Cl2O4S2/c9-15(11,12)5-7-2-1-3-8(4-7)6-16(10,13)14/h1-4H,5-6H2
InChIKeyURPWDIIPARAFKA-UHFFFAOYSA-N
MW303.19 g/mol
LogP1.82
Rot. Bonds4

About [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride

[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride (PubChem CID 18676560) has the molecular formula C8H8Cl2O4S2 and a molecular weight of 303.19 g/mol. Its IUPAC name is [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
PubChem CID18676560
Molecular FormulaC8H8Cl2O4S2
Molecular Weight303.19 g/mol
Exact Mass301.92
IUPAC Name[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H8Cl2O4S2/c9-15(11,12)5-7-2-1-3-8(4-7)6-16(10,13)14/h1-4H,5-6H2
InChIKeyURPWDIIPARAFKA-UHFFFAOYSA-N
XLogP1.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
CID 117434501
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
CID 117117226
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride
CID 84710274

Frequently Asked Questions

What is the IUPAC name of [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride (CID 18676560) is [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride?
The InChIKey is URPWDIIPARAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O4S2/c9-15(11,12)5-7-2-1-3-8(4-7)6-16(10,13)14/h1-4H,5-6H2.
What are the key properties of [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride?
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride has a molecular weight of 303.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 18676560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).