N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide

C15H13BrClNO3S — CID 26691813

IUPACN-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C15H13BrClNO3S/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-13(17)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19)
InChIKeyAACPSXNHYARZMZ-UHFFFAOYSA-N
MW402.70 g/mol
LogP4.07
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide

N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide (PubChem CID 26691813) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
PubChem CID26691813
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1Br
InChIInChI=1S/C15H13BrClNO3S/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-13(17)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19)
InChIKeyAACPSXNHYARZMZ-UHFFFAOYSA-N
XLogP4.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide (CID 26691813) is N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide?
The InChIKey is AACPSXNHYARZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c1-9-7-11(4-5-12(9)16)18-15(19)10-3-6-13(17)14(8-10)22(2,20)21/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide?
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide has a molecular weight of 402.70 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide is sourced from PubChem (CID 26691813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).