3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide

C19H16BrN3O4S — CID 90342470

IUPAC3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cn2)c1
InChIInChI=1S/C19H16BrN3O4S/c1-23(15-7-5-14(20)6-8-15)28(26,27)17-4-2-3-13(11-17)19(25)22-18-10-9-16(24)12-21-18/h2-12,24H,1H3,(H,21,22,25)
InChIKeyPTXZWVXXSYPKKO-UHFFFAOYSA-N
MW462.33 g/mol
LogP3.63
Rot. Bonds5

About 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide

3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide (PubChem CID 90342470) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
PubChem CID90342470
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC Name3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cn2)c1
InChIInChI=1S/C19H16BrN3O4S/c1-23(15-7-5-14(20)6-8-15)28(26,27)17-4-2-3-13(11-17)19(25)22-18-10-9-16(24)12-21-18/h2-12,24H,1H3,(H,21,22,25)
InChIKeyPTXZWVXXSYPKKO-UHFFFAOYSA-N
XLogP3.63
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 86729965
5-bromo-2-[[3-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]-N-methylsulfonylbenzamide
CID 10416149
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 70685342
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
CID 76901302
N-(6-bromo-3-pyridinyl)-3-(dimethylsulfamoyl)benzamide
CID 110614688

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide (CID 90342470) is 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide is CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cn2)c1.
What is the InChIKey of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide?
The InChIKey is PTXZWVXXSYPKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c1-23(15-7-5-14(20)6-8-15)28(26,27)17-4-2-3-13(11-17)19(25)22-18-10-9-16(24)12-21-18/h2-12,24H,1H3,(H,21,22,25).
What are the key properties of 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide?
3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide has a molecular weight of 462.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 90342470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).