4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C21H20N2O3S — CID 2904040

IUPAC4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c22-27(25,26)20-12-6-16(7-13-20)14-15-23-21(24)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)(H2,22,25,26)
InChIKeyOZSQEXWJFGWJHY-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.97
Rot. Bonds6

About 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2904040) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2904040
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S/c22-27(25,26)20-12-6-16(7-13-20)14-15-23-21(24)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)(H2,22,25,26)
InChIKeyOZSQEXWJFGWJHY-UHFFFAOYSA-N
XLogP2.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 2904040) is 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is OZSQEXWJFGWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c22-27(25,26)20-12-6-16(7-13-20)14-15-23-21(24)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)(H2,22,25,26).
What are the key properties of 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2904040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).