3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide

C19H16BrN3O4S — CID 60588277

IUPAC3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16BrN3O4S/c20-15-10-17(19(25)21-12-15)23-18(24)14-7-4-8-16(9-14)28(26,27)22-11-13-5-2-1-3-6-13/h1-10,12,22H,11H2,(H,21,25)(H,23,24)
InChIKeyAKBSTICFIXWROK-UHFFFAOYSA-N
MW462.33 g/mol
LogP2.87
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide

3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 60588277) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID60588277
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC Name3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16BrN3O4S/c20-15-10-17(19(25)21-12-15)23-18(24)14-7-4-8-16(9-14)28(26,27)22-11-13-5-2-1-3-6-13/h1-10,12,22H,11H2,(H,21,25)(H,23,24)
InChIKeyAKBSTICFIXWROK-UHFFFAOYSA-N
XLogP2.87
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
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3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
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3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
CID 170977181
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide (CID 60588277) is 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide is O=C(Nc1cc(Br)c[nH]c1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is AKBSTICFIXWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c20-15-10-17(19(25)21-12-15)23-18(24)14-7-4-8-16(9-14)28(26,27)22-11-13-5-2-1-3-6-13/h1-10,12,22H,11H2,(H,21,25)(H,23,24).
What are the key properties of 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide?
3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 462.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 60588277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).