N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C20H17BrN2O4S — CID 26537602

IUPACN-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1
InChIInChI=1S/C20H17BrN2O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-2-4-14(12-19)20(24)22-17-6-3-5-15(21)13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyPXNDPEYBUPCDHZ-UHFFFAOYSA-N
MW461.34 g/mol
LogP4.51
Rot. Bonds6

About N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 26537602) has the molecular formula C20H17BrN2O4S and a molecular weight of 461.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID26537602
Molecular FormulaC20H17BrN2O4S
Molecular Weight461.34 g/mol
Exact Mass460.01
IUPAC NameN-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1
InChIInChI=1S/C20H17BrN2O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-2-4-14(12-19)20(24)22-17-6-3-5-15(21)13-17/h2-13,23H,1H3,(H,22,24)
InChIKeyPXNDPEYBUPCDHZ-UHFFFAOYSA-N
XLogP4.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
methyl 3-bromo-5-[[3-(phenylsulfamoyl)benzoyl]amino]benzoate
CID 142738628
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 6161520
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 26537602) is N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is PXNDPEYBUPCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O4S/c1-27-18-10-8-16(9-11-18)23-28(25,26)19-7-2-4-14(12-19)20(24)22-17-6-3-5-15(21)13-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 461.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).