N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide

C19H16BrN3O3S — CID 1144139

IUPACN-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C19H16BrN3O3S/c1-13-5-6-14(19(24)22-16-9-7-15(20)8-10-16)12-17(13)27(25,26)23-18-4-2-3-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyVTRLTAODKYTUNO-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.21
Rot. Bonds5

About N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide

N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide (PubChem CID 1144139) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide
PubChem CID1144139
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC NameN-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C19H16BrN3O3S/c1-13-5-6-14(19(24)22-16-9-7-15(20)8-10-16)12-17(13)27(25,26)23-18-4-2-3-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyVTRLTAODKYTUNO-UHFFFAOYSA-N
XLogP4.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 9959268
2''-Sulfamoyl-biphenyl-4-carboxylic acid [2-(5-bromo-pyridin-2-ylcarbamoyl)-ethyl]-amide
CID 10185508
N'-(5-bromo-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
CID 10189235
2''-Sulfamoyl-biphenyl-4-carboxylic acid [5-amino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 10303308
2''-Sulfamoyl-biphenyl-4-carboxylic acid [4-acetylamino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 18727777
2''-Sulfamoyl-biphenyl-4-carboxylic acid [4-amino-2-(5-bromo-pyridin-2-ylcarbamoyl)-phenyl]-amide
CID 22596430
N'-(5-bromo-2-pyridinyl)-N-[4-(2-sulfamoylphenyl)phenyl]butanediamide
CID 44393271
3-[(diethylamino)sulfonyl]-4-methyl-N-2-pyridinylbenzamide
CID 871491
N-(4-Bromo-phenyl)-2-chloro-5-(pyridin-2-ylsulfamoyl)-benzamide
CID 1069224
2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084464

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide (CID 1144139) is N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide?
The InChIKey is VTRLTAODKYTUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-13-5-6-14(19(24)22-16-9-7-15(20)8-10-16)12-17(13)27(25,26)23-18-4-2-3-11-21-18/h2-12H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide?
N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide has a molecular weight of 446.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methyl-3-(pyridin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 1144139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).