5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide

C20H17BrN2O3S — CID 1101750

IUPAC5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Br
InChIInChI=1S/C20H17BrN2O3S/c21-19-12-11-17(27(25,26)22-14-15-7-3-1-4-8-15)13-18(19)20(24)23-16-9-5-2-6-10-16/h1-13,22H,14H2,(H,23,24)
InChIKeyNZPZVZXIZVQBSE-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.18
Rot. Bonds6

About 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide

5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide (PubChem CID 1101750) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
PubChem CID1101750
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC Name5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Br
InChIInChI=1S/C20H17BrN2O3S/c21-19-12-11-17(27(25,26)22-14-15-7-3-1-4-8-15)13-18(19)20(24)23-16-9-5-2-6-10-16/h1-13,22H,14H2,(H,23,24)
InChIKeyNZPZVZXIZVQBSE-UHFFFAOYSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324
5-(benzylsulfamoyl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylbenzamide
CID 43011429
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
1-[4-(benzylsulfamoyl)phenyl]-3-phenylthiourea
CID 4928890
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide (CID 1101750) is 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Br.
What is the InChIKey of 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide?
The InChIKey is NZPZVZXIZVQBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c21-19-12-11-17(27(25,26)22-14-15-7-3-1-4-8-15)13-18(19)20(24)23-16-9-5-2-6-10-16/h1-13,22H,14H2,(H,23,24).
What are the key properties of 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide?
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide has a molecular weight of 445.34 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide is sourced from PubChem (CID 1101750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).