4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride

C13H8BrCl2NO3S — CID 81290021

IUPAC4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrCl2NO3S/c14-11-6-1-8(7-12(11)15)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18)
InChIKeyGWRQXUFVCRBMGX-UHFFFAOYSA-N
MW409.09 g/mol
LogP4.28
Rot. Bonds3

About 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride

4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 81290021) has the molecular formula C13H8BrCl2NO3S and a molecular weight of 409.09 g/mol. Its IUPAC name is 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
PubChem CID81290021
Molecular FormulaC13H8BrCl2NO3S
Molecular Weight409.09 g/mol
Exact Mass406.88
IUPAC Name4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrCl2NO3S/c14-11-6-1-8(7-12(11)15)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18)
InChIKeyGWRQXUFVCRBMGX-UHFFFAOYSA-N
XLogP4.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride (CID 81290021) is 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is GWRQXUFVCRBMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO3S/c14-11-6-1-8(7-12(11)15)13(18)17-9-2-4-10(5-3-9)21(16,19)20/h1-7H,(H,17,18).
What are the key properties of 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride?
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 409.09 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 81290021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).