N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C21H20N2O3S — CID 42695464

IUPACN-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c22-27(25,26)20-13-11-18(12-14-20)16-23(15-17-7-3-1-4-8-17)21(24)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,25,26)
InChIKeyHDJYFGLDXGTNKY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.18
Rot. Bonds6

About N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide

N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 42695464) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID42695464
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c22-27(25,26)20-13-11-18(12-14-20)16-23(15-17-7-3-1-4-8-17)21(24)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,25,26)
InChIKeyHDJYFGLDXGTNKY-UHFFFAOYSA-N
XLogP3.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-[[benzoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
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N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
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CID 1252923
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 42695464) is N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is HDJYFGLDXGTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c22-27(25,26)20-13-11-18(12-14-20)16-23(15-17-7-3-1-4-8-17)21(24)19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,22,25,26).
What are the key properties of N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 42695464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).