2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide

C19H14BrFN2O3S — CID 4223375

IUPAC2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14BrFN2O3S/c20-13-10-11-18(16(21)12-13)22-19(24)15-8-4-5-9-17(15)23-27(25,26)14-6-2-1-3-7-14/h1-12,23H,(H,22,24)
InChIKeyHOTCRVPPQDVARF-UHFFFAOYSA-N
MW449.30 g/mol
LogP4.64
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide

2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide (PubChem CID 4223375) has the molecular formula C19H14BrFN2O3S and a molecular weight of 449.30 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
PubChem CID4223375
Molecular FormulaC19H14BrFN2O3S
Molecular Weight449.30 g/mol
Exact Mass447.99
IUPAC Name2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14BrFN2O3S/c20-13-10-11-18(16(21)12-13)22-19(24)15-8-4-5-9-17(15)23-27(25,26)14-6-2-1-3-7-14/h1-12,23H,(H,22,24)
InChIKeyHOTCRVPPQDVARF-UHFFFAOYSA-N
XLogP4.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.30
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide (CID 4223375) is 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide is O=C(Nc1ccc(Br)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide?
The InChIKey is HOTCRVPPQDVARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O3S/c20-13-10-11-18(16(21)12-13)22-19(24)15-8-4-5-9-17(15)23-27(25,26)14-6-2-1-3-7-14/h1-12,23H,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide?
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide has a molecular weight of 449.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide is sourced from PubChem (CID 4223375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).