3-bromo-N-(4-chlorophenyl)sulfonylbenzamide

C13H9BrClNO3S — CID 11245786

IUPAC3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c14-10-3-1-2-9(8-10)13(17)16-20(18,19)12-6-4-11(15)5-7-12/h1-8H,(H,16,17)
InChIKeyPCSRHSZMCDEYGU-UHFFFAOYSA-N
MW374.64 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide

3-bromo-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11245786) has the molecular formula C13H9BrClNO3S and a molecular weight of 374.64 g/mol. Its IUPAC name is 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11245786
Molecular FormulaC13H9BrClNO3S
Molecular Weight374.64 g/mol
Exact Mass372.92
IUPAC Name3-bromo-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrClNO3S/c14-10-3-1-2-9(8-10)13(17)16-20(18,19)12-6-4-11(15)5-7-12/h1-8H,(H,16,17)
InChIKeyPCSRHSZMCDEYGU-UHFFFAOYSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
3-bromo-N-(phenylsulfonyl)benzamide
CID 2197783
LY-33169
CID 10021712
N-[2-chloro-4-bromobenzoyl]-4-chlorophenylsulfonamide
CID 10113563
2,4-dibromo-N-(4-chlorophenyl)sulfonylbenzamide
CID 11181788
4-bromo-N-(4-chlorophenyl)sulfonyl-2-methylbenzamide
CID 11193260
N-(3-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11200665
2,4-dichloro-N-(3,4-dibromophenyl)sulfonylbenzamide
CID 11248789
N-(4-bromophenyl)sulfonyl-2,4-dichlorobenzamide
CID 11441201
2-bromo-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11763954
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
4-Chloro-N-(2-chlorobenzoyl)benzenesulfonamide
CID 975893

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide (CID 11245786) is 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is PCSRHSZMCDEYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3S/c14-10-3-1-2-9(8-10)13(17)16-20(18,19)12-6-4-11(15)5-7-12/h1-8H,(H,16,17).
What are the key properties of 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide?
3-bromo-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 374.64 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).