2-(methylsulfinylmethyl)benzenesulfonyl chloride

C8H9ClO3S2 — CID 104721917

IUPAC2-(methylsulfinylmethyl)benzenesulfonyl chloride
SMILESCS(=O)Cc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO3S2/c1-13(10)6-7-4-2-3-5-8(7)14(9,11)12/h2-5H,6H2,1H3
InChIKeyHROMJOSBRMHMGF-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.49
Rot. Bonds3

About 2-(methylsulfinylmethyl)benzenesulfonyl chloride

2-(methylsulfinylmethyl)benzenesulfonyl chloride (PubChem CID 104721917) has the molecular formula C8H9ClO3S2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)benzenesulfonyl chloride
PubChem CID104721917
Molecular FormulaC8H9ClO3S2
Molecular Weight252.74 g/mol
Exact Mass251.97
IUPAC Name2-(methylsulfinylmethyl)benzenesulfonyl chloride
SMILESCS(=O)Cc1ccccc1S(=O)(=O)Cl
InChIInChI=1S/C8H9ClO3S2/c1-13(10)6-7-4-2-3-5-8(7)14(9,11)12/h2-5H,6H2,1H3
InChIKeyHROMJOSBRMHMGF-UHFFFAOYSA-N
XLogP1.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)benzenesulfonyl chloride
CID 13364626
2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
2-(methylsulfinylmethyl)benzonitrile
CID 64692362
2-[2-(2-nitrophenyl)ethyl]benzenesulfonyl chloride
CID 107334851
2-(methoxymethoxy)benzenesulfonyl chloride
CID 131454177
2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride
CID 175438456
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
2-(methylsulfinylmethyl)-6-phenylphenol
CID 101208758
1,2-bis[[(S)-tert-butylsulfinyl]methyl]benzene
CID 139198164
1-[[(S)-tert-butylsulfinyl]methyl]-2-[[(R)-tert-butylsulfinyl]methyl]benzene
CID 139198159
1-ethyl-2-[(2-ethylphenyl)sulfonylmethylsulfonyl]benzene
CID 87641988
naphthalene-2,3-disulfonyl chloride
CID 134894919

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfinylmethyl)benzenesulfonyl chloride?
The IUPAC name of 2-(methylsulfinylmethyl)benzenesulfonyl chloride (CID 104721917) is 2-(methylsulfinylmethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(methylsulfinylmethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(methylsulfinylmethyl)benzenesulfonyl chloride is CS(=O)Cc1ccccc1S(=O)(=O)Cl.
What is the InChIKey of 2-(methylsulfinylmethyl)benzenesulfonyl chloride?
The InChIKey is HROMJOSBRMHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S2/c1-13(10)6-7-4-2-3-5-8(7)14(9,11)12/h2-5H,6H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)benzenesulfonyl chloride?
2-(methylsulfinylmethyl)benzenesulfonyl chloride has a molecular weight of 252.74 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)benzenesulfonyl chloride is sourced from PubChem (CID 104721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).