N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C21H18BrFN2O4S — CID 46592550

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cc(Br)ccc3F)c2)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-29-18-8-6-17(7-9-18)25-30(27,28)19-4-2-3-14(12-19)21(26)24-13-15-11-16(22)5-10-20(15)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyQYNGQVIKFFDUMK-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.33
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 46592550) has the molecular formula C21H18BrFN2O4S and a molecular weight of 493.35 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID46592550
Molecular FormulaC21H18BrFN2O4S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cc(Br)ccc3F)c2)cc1
InChIInChI=1S/C21H18BrFN2O4S/c1-29-18-8-6-17(7-9-18)25-30(27,28)19-4-2-3-14(12-19)21(26)24-13-15-11-16(22)5-10-20(15)23/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyQYNGQVIKFFDUMK-UHFFFAOYSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 46592550) is N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cc(Br)ccc3F)c2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is QYNGQVIKFFDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O4S/c1-29-18-8-6-17(7-9-18)25-30(27,28)19-4-2-3-14(12-19)21(26)24-13-15-11-16(22)5-10-20(15)23/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 493.35 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46592550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).