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

C19H14Br2N2O3S — CID 1076689

IUPACN-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24)
InChIKeySJJKUNDBFWUAQB-UHFFFAOYSA-N
MW510.21 g/mol
LogP5.26
Rot. Bonds5

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

N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide (PubChem CID 1076689) has the molecular formula C19H14Br2N2O3S and a molecular weight of 510.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide
PubChem CID1076689
Molecular FormulaC19H14Br2N2O3S
Molecular Weight510.21 g/mol
Exact Mass507.91
IUPAC NameN-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24)
InChIKeySJJKUNDBFWUAQB-UHFFFAOYSA-N
XLogP5.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.21
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide (CID 1076689) is N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide is O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The InChIKey is SJJKUNDBFWUAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24).
What are the key properties of N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide has a molecular weight of 510.21 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1076689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).