N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide

C16H17BrN2O3S — CID 19062672

IUPACN-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-10-9-13(5-6-14(10)17)18-16(20)12-4-7-15(11(2)8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyIEILLQOAJKYGTC-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.69
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide

N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide (PubChem CID 19062672) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
PubChem CID19062672
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1Br
InChIInChI=1S/C16H17BrN2O3S/c1-10-9-13(5-6-14(10)17)18-16(20)12-4-7-15(11(2)8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20)
InChIKeyIEILLQOAJKYGTC-UHFFFAOYSA-N
XLogP3.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 19062669
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide (CID 19062672) is N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide is Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide?
The InChIKey is IEILLQOAJKYGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-10-9-13(5-6-14(10)17)18-16(20)12-4-7-15(11(2)8-12)19-23(3,21)22/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide?
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide has a molecular weight of 397.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide is sourced from PubChem (CID 19062672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).