N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide

C15H15BrN2O3S — CID 41448766

IUPACN-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O3S/c1-10-11(6-5-9-13(10)18-22(2,20)21)15(19)17-14-8-4-3-7-12(14)16/h3-9,18H,1-2H3,(H,17,19)
InChIKeyZHDZDWQGAOTOSQ-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.38
Rot. Bonds4

About N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide

N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide (PubChem CID 41448766) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
PubChem CID41448766
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC NameN-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
SMILESCc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O3S/c1-10-11(6-5-9-13(10)18-22(2,20)21)15(19)17-14-8-4-3-7-12(14)16/h3-9,18H,1-2H3,(H,17,19)
InChIKeyZHDZDWQGAOTOSQ-UHFFFAOYSA-N
XLogP3.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
N-tert-butyl-3-(methanesulfonamido)-2-methylbenzamide
CID 41448856
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
CID 103983155
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
N,N-dibenzyl-3-(methanesulfonamido)-2-methylbenzamide
CID 19062402

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide?
The IUPAC name of N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide (CID 41448766) is N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide?
The canonical SMILES for N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide is Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide?
The InChIKey is ZHDZDWQGAOTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-10-11(6-5-9-13(10)18-22(2,20)21)15(19)17-14-8-4-3-7-12(14)16/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide?
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide has a molecular weight of 383.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide is sourced from PubChem (CID 41448766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).