N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide

C15H14BrFN2O3S — CID 19062523

IUPACN-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14BrFN2O3S/c1-9-3-4-10(7-14(9)19-23(2,21)22)15(20)18-13-6-5-11(16)8-12(13)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyXJDNTFBWZPCSFG-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.52
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide

N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 19062523) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID19062523
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C15H14BrFN2O3S/c1-9-3-4-10(7-14(9)19-23(2,21)22)15(20)18-13-6-5-11(16)8-12(13)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyXJDNTFBWZPCSFG-UHFFFAOYSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107023428
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide (CID 19062523) is N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NS(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is XJDNTFBWZPCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c1-9-3-4-10(7-14(9)19-23(2,21)22)15(20)18-13-6-5-11(16)8-12(13)17/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide?
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 401.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 19062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).