2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

C19H14BrClN2O3S — CID 164624083

IUPAC2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C19H14BrClN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyAROXJWNWANVMKG-UHFFFAOYSA-N
MW465.76 g/mol
LogP5.16
Rot. Bonds5

About 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide

2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 164624083) has the molecular formula C19H14BrClN2O3S and a molecular weight of 465.76 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID164624083
Molecular FormulaC19H14BrClN2O3S
Molecular Weight465.76 g/mol
Exact Mass463.96
IUPAC Name2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C19H14BrClN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24)
InChIKeyAROXJWNWANVMKG-UHFFFAOYSA-N
XLogP5.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.76
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 164624083) is 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is AROXJWNWANVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O3S/c20-18-12-13(21)6-11-17(18)19(24)22-14-7-9-16(10-8-14)27(25,26)23-15-4-2-1-3-5-15/h1-12,23H,(H,22,24).
What are the key properties of 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide?
2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 465.76 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 164624083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).