N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide

C14H12BrClN2O3S — CID 71764611

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
InChIKeyGJRBIABNOIMWTI-UHFFFAOYSA-N
MW403.69 g/mol
LogP2.93
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide

N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide (PubChem CID 71764611) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide
PubChem CID71764611
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
InChIKeyGJRBIABNOIMWTI-UHFFFAOYSA-N
XLogP2.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide (CID 71764611) is N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is GJRBIABNOIMWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide?
N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 403.69 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 71764611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).