4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide

C19H14BrFN2O3S — CID 164615573

IUPAC4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C19H14BrFN2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyKRDXCENPLJYGST-UHFFFAOYSA-N
MW449.30 g/mol
LogP4.64
Rot. Bonds5

About 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 164615573) has the molecular formula C19H14BrFN2O3S and a molecular weight of 449.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID164615573
Molecular FormulaC19H14BrFN2O3S
Molecular Weight449.30 g/mol
Exact Mass447.99
IUPAC Name4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C19H14BrFN2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyKRDXCENPLJYGST-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-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164618091
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
3,5-difluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638196
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 164615573) is 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is KRDXCENPLJYGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O3S/c20-13-6-11-17(18(21)12-13)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24).
What are the key properties of 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]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 4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 164615573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).