2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide

C19H14BrClN2O3S — CID 155536568

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrClN2O3S/c20-13-5-11-16(12-6-13)27(25,26)23-18-4-2-1-3-17(18)19(24)22-15-9-7-14(21)8-10-15/h1-12,23H,(H,22,24)
InChIKeyPGJMMQAVZWMOJF-UHFFFAOYSA-N
MW465.76 g/mol
LogP5.16
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (PubChem CID 155536568) has the molecular formula C19H14BrClN2O3S and a molecular weight of 465.76 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
PubChem CID155536568
Molecular FormulaC19H14BrClN2O3S
Molecular Weight465.76 g/mol
Exact Mass463.96
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrClN2O3S/c20-13-5-11-16(12-6-13)27(25,26)23-18-4-2-1-3-17(18)19(24)22-15-9-7-14(21)8-10-15/h1-12,23H,(H,22,24)
InChIKeyPGJMMQAVZWMOJF-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-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide (CID 155536568) is 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
The InChIKey is PGJMMQAVZWMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O3S/c20-13-5-11-16(12-6-13)27(25,26)23-18-4-2-1-3-17(18)19(24)22-15-9-7-14(21)8-10-15/h1-12,23H,(H,22,24).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)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-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 155536568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).