3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

C20H18BrN3O4S — CID 17466951

IUPAC3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-28-19-9-8-15(12-18(19)21)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyUJWBCMQTPZRXRA-UHFFFAOYSA-N
MW476.35 g/mol
LogP3.58
Rot. Bonds7

About 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide

3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 17466951) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID17466951
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-28-19-9-8-15(12-18(19)21)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyUJWBCMQTPZRXRA-UHFFFAOYSA-N
XLogP3.58
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide (CID 17466951) is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UJWBCMQTPZRXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-28-19-9-8-15(12-18(19)21)24-29(26,27)17-7-4-5-14(11-17)20(25)23-13-16-6-2-3-10-22-16/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide?
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 476.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 17466951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).