5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide

C16H15BrFN3O4S — CID 56579817

IUPAC5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFN3O4S/c1-9(22)19-11-4-6-14(21-26(2,24)25)12(8-11)16(23)20-15-5-3-10(17)7-13(15)18/h3-8,21H,1-2H3,(H,19,22)(H,20,23)
InChIKeyKSVYDRKFIOOCLN-UHFFFAOYSA-N
MW444.28 g/mol
LogP3.17
Rot. Bonds5

About 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide

5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide (PubChem CID 56579817) has the molecular formula C16H15BrFN3O4S and a molecular weight of 444.28 g/mol. Its IUPAC name is 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
PubChem CID56579817
Molecular FormulaC16H15BrFN3O4S
Molecular Weight444.28 g/mol
Exact Mass443.00
IUPAC Name5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H15BrFN3O4S/c1-9(22)19-11-4-6-14(21-26(2,24)25)12(8-11)16(23)20-15-5-3-10(17)7-13(15)18/h3-8,21H,1-2H3,(H,19,22)(H,20,23)
InChIKeyKSVYDRKFIOOCLN-UHFFFAOYSA-N
XLogP3.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 60564562
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
CID 56579283
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide (CID 56579817) is 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide?
The InChIKey is KSVYDRKFIOOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O4S/c1-9(22)19-11-4-6-14(21-26(2,24)25)12(8-11)16(23)20-15-5-3-10(17)7-13(15)18/h3-8,21H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide?
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide has a molecular weight of 444.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56579817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).