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

C20H16BrClN2O4S — CID 26575177

IUPAC3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1Br
InChIInChI=1S/C20H16BrClN2O4S/c1-28-19-10-9-14(12-16(19)21)24-29(26,27)15-6-4-5-13(11-15)20(25)23-18-8-3-2-7-17(18)22/h2-12,24H,1H3,(H,23,25)
InChIKeyPPXVKEZJGCOQLB-UHFFFAOYSA-N
MW495.78 g/mol
LogP5.16
Rot. Bonds6

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

3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide (PubChem CID 26575177) has the molecular formula C20H16BrClN2O4S and a molecular weight of 495.78 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
PubChem CID26575177
Molecular FormulaC20H16BrClN2O4S
Molecular Weight495.78 g/mol
Exact Mass493.97
IUPAC Name3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1Br
InChIInChI=1S/C20H16BrClN2O4S/c1-28-19-10-9-14(12-16(19)21)24-29(26,27)15-6-4-5-13(11-15)20(25)23-18-8-3-2-7-17(18)22/h2-12,24H,1H3,(H,23,25)
InChIKeyPPXVKEZJGCOQLB-UHFFFAOYSA-N
XLogP5.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-(3-bromo-4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 55346284
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 17466951
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide (CID 26575177) is 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide?
The InChIKey is PPXVKEZJGCOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4S/c1-28-19-10-9-14(12-16(19)21)24-29(26,27)15-6-4-5-13(11-15)20(25)23-18-8-3-2-7-17(18)22/h2-12,24H,1H3,(H,23,25).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide?
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide has a molecular weight of 495.78 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 26575177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).