3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide

C20H16Br2N2O3S — CID 1039737

IUPAC3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
InChIKeySWKAVEUTKGKHSR-UHFFFAOYSA-N
MW524.23 g/mol
LogP4.94
Rot. Bonds6

About 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide

3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide (PubChem CID 1039737) has the molecular formula C20H16Br2N2O3S and a molecular weight of 524.23 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
PubChem CID1039737
Molecular FormulaC20H16Br2N2O3S
Molecular Weight524.23 g/mol
Exact Mass521.92
IUPAC Name3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
InChIKeySWKAVEUTKGKHSR-UHFFFAOYSA-N
XLogP4.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.23
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1328033
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CID 1076689
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzene-1-sulfonamide
CID 24816976
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
3-(cyclopentylsulfamoyl)-N-phenylbenzamide
CID 793738
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
CID 1355932
3-bromo-N-(3-sulfamoylphenyl)benzamide
CID 4236942
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
CID 10228885

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide (CID 1039737) is 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide?
The InChIKey is SWKAVEUTKGKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25).
What are the key properties of 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide?
3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide has a molecular weight of 524.23 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide is sourced from PubChem (CID 1039737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).