2-benzoyl-4-chlorobenzenesulfonyl chloride

C13H8Cl2O3S — CID 2756600

IUPAC2-benzoyl-4-chlorobenzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H8Cl2O3S/c14-10-6-7-12(19(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyBPSHNCPJAOFFQB-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.50
Rot. Bonds3

About 2-benzoyl-4-chlorobenzenesulfonyl chloride

2-benzoyl-4-chlorobenzenesulfonyl chloride (PubChem CID 2756600) has the molecular formula C13H8Cl2O3S and a molecular weight of 315.18 g/mol. Its IUPAC name is 2-benzoyl-4-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-benzoyl-4-chlorobenzenesulfonyl chloride
PubChem CID2756600
Molecular FormulaC13H8Cl2O3S
Molecular Weight315.18 g/mol
Exact Mass313.96
IUPAC Name2-benzoyl-4-chlorobenzenesulfonyl chloride
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C13H8Cl2O3S/c14-10-6-7-12(19(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyBPSHNCPJAOFFQB-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-5-chlorobenzenesulfonyl chloride
CID 154105826
5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
CID 86048949
benzamide;2-benzoyl-5-chlorobenzenesulfonamide
CID 174396594
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
2-benzoyl-3-chlorobenzenesulfonyl chloride
CID 154094187
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
CID 87059878
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride
CID 19995129
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-chlorobenzenesulfonyl chloride?
The IUPAC name of 2-benzoyl-4-chlorobenzenesulfonyl chloride (CID 2756600) is 2-benzoyl-4-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-benzoyl-4-chlorobenzenesulfonyl chloride?
The canonical SMILES for 2-benzoyl-4-chlorobenzenesulfonyl chloride is O=C(c1ccccc1)c1cc(Cl)ccc1S(=O)(=O)Cl.
What is the InChIKey of 2-benzoyl-4-chlorobenzenesulfonyl chloride?
The InChIKey is BPSHNCPJAOFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3S/c14-10-6-7-12(19(15,17)18)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-benzoyl-4-chlorobenzenesulfonyl chloride?
2-benzoyl-4-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-4-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 2756600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).