N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide

C21H20N2O3S — CID 130431459

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c24-21(19-7-3-1-4-8-19)22-15-17-11-13-18(14-12-17)16-23-27(25,26)20-9-5-2-6-10-20/h1-14,23H,15-16H2,(H,22,24)
InChIKeyZHWNQTPGSBTAEN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.10
Rot. Bonds7

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide (PubChem CID 130431459) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
PubChem CID130431459
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c24-21(19-7-3-1-4-8-19)22-15-17-11-13-18(14-12-17)16-23-27(25,26)20-9-5-2-6-10-20/h1-14,23H,15-16H2,(H,22,24)
InChIKeyZHWNQTPGSBTAEN-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide (CID 130431459) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide?
The InChIKey is ZHWNQTPGSBTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21(19-7-3-1-4-8-19)22-15-17-11-13-18(14-12-17)16-23-27(25,26)20-9-5-2-6-10-20/h1-14,23H,15-16H2,(H,22,24).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 130431459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).