3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

C20H18BrN3O3S — CID 25181605

IUPAC3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18BrN3O3S/c1-14-4-6-18(7-5-14)24-28(26,27)19-10-16(9-17(21)11-19)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyQPGOYVRMTDIMTQ-UHFFFAOYSA-N
MW460.35 g/mol
LogP3.88
Rot. Bonds6

About 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide

3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 25181605) has the molecular formula C20H18BrN3O3S and a molecular weight of 460.35 g/mol. Its IUPAC name is 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID25181605
Molecular FormulaC20H18BrN3O3S
Molecular Weight460.35 g/mol
Exact Mass459.03
IUPAC Name3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18BrN3O3S/c1-14-4-6-18(7-5-14)24-28(26,27)19-10-16(9-17(21)11-19)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyQPGOYVRMTDIMTQ-UHFFFAOYSA-N
XLogP3.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859
3-chloro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 139390901
3-[(2,4-dimethylphenyl)methylamino]-5-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 26140138
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983095
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfonylmethyl)phenyl]methyl]benzamide
CID 55948380
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 31399135

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide (CID 25181605) is 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QPGOYVRMTDIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3S/c1-14-4-6-18(7-5-14)24-28(26,27)19-10-16(9-17(21)11-19)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide?
3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 460.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 25181605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).