N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide

C15H11BrClNO4S — CID 78895597

IUPACN-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H11BrClNO4S/c1-9(19)10-2-5-12(6-3-10)23(21,22)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,1H3,(H,18,20)
InChIKeyMTBKYXVYOPFAOW-UHFFFAOYSA-N
MW416.68 g/mol
LogP3.42
Rot. Bonds4

About N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide

N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide (PubChem CID 78895597) has the molecular formula C15H11BrClNO4S and a molecular weight of 416.68 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
PubChem CID78895597
Molecular FormulaC15H11BrClNO4S
Molecular Weight416.68 g/mol
Exact Mass414.93
IUPAC NameN-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H11BrClNO4S/c1-9(19)10-2-5-12(6-3-10)23(21,22)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,1H3,(H,18,20)
InChIKeyMTBKYXVYOPFAOW-UHFFFAOYSA-N
XLogP3.42
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-chloro-N-(4-ethoxyphenyl)sulfonylbenzamide
CID 78895773
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
4-acetyl-N-[4-[2-[4-(methylsulfamoyl)phenyl]propan-2-yl]phenyl]sulfonylbenzamide
CID 59994942
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide (CID 78895597) is N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide?
The InChIKey is MTBKYXVYOPFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO4S/c1-9(19)10-2-5-12(6-3-10)23(21,22)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide?
N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide has a molecular weight of 416.68 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 78895597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).