2-benzoyl-3-chlorobenzenesulfonyl chloride

C13H8Cl2O3S — CID 154094187

IUPAC2-benzoyl-3-chlorobenzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C13H8Cl2O3S/c14-10-7-4-8-11(19(15,17)18)12(10)13(16)9-5-2-1-3-6-9/h1-8H
InChIKeyHIWJRXLABYKXHV-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.50
Rot. Bonds3

About 2-benzoyl-3-chlorobenzenesulfonyl chloride

2-benzoyl-3-chlorobenzenesulfonyl chloride (PubChem CID 154094187) has the molecular formula C13H8Cl2O3S and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-benzoyl-3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-benzoyl-3-chlorobenzenesulfonyl chloride
PubChem CID154094187
Molecular FormulaC13H8Cl2O3S
Molecular Weight315.18 g/mol
Exact Mass313.96
IUPAC Name2-benzoyl-3-chlorobenzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1c(Cl)cccc1S(=O)(=O)Cl
InChIInChI=1S/C13H8Cl2O3S/c14-10-7-4-8-11(19(15,17)18)12(10)13(16)9-5-2-1-3-6-9/h1-8H
InChIKeyHIWJRXLABYKXHV-UHFFFAOYSA-N
XLogP3.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzoyl-3-(trifluoromethyl)benzenesulfonyl chloride
CID 159729572
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
benzoic acid;2-methylbenzenesulfonyl chloride
CID 88766670
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-chlorobenzenesulfonyl chloride
CID 115559847
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
(4-benzoylphenyl) 2-chloro-6-fluorobenzoate
CID 2678926
diphenylmethanone
CID 3102
CID 11251659
CID 11251659
3-chloro-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 63864539
3-chloro-2-[cyclopropylmethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 63660756

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-chlorobenzenesulfonyl chloride?
The IUPAC name of 2-benzoyl-3-chlorobenzenesulfonyl chloride (CID 154094187) is 2-benzoyl-3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-benzoyl-3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 2-benzoyl-3-chlorobenzenesulfonyl chloride is O=C(c1ccccc1)c1c(Cl)cccc1S(=O)(=O)Cl.
What is the InChIKey of 2-benzoyl-3-chlorobenzenesulfonyl chloride?
The InChIKey is HIWJRXLABYKXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3S/c14-10-7-4-8-11(19(15,17)18)12(10)13(16)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-benzoyl-3-chlorobenzenesulfonyl chloride?
2-benzoyl-3-chlorobenzenesulfonyl chloride has a molecular weight of 315.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 154094187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).