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

C21H19FN2O3S — CID 130431454

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-19-12-10-18(11-13-19)21(25)23-14-16-6-8-17(9-7-16)15-24-28(26,27)20-4-2-1-3-5-20/h1-13,24H,14-15H2,(H,23,25)
InChIKeyAPJKDAGVZIBXGG-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.23
Rot. Bonds7

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

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide (PubChem CID 130431454) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide
PubChem CID130431454
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-19-12-10-18(11-13-19)21(25)23-14-16-6-8-17(9-7-16)15-24-28(26,27)20-4-2-1-3-5-20/h1-13,24H,14-15H2,(H,23,25)
InChIKeyAPJKDAGVZIBXGG-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.23
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]-4-fluorobenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide (CID 130431454) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide?
The InChIKey is APJKDAGVZIBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-19-12-10-18(11-13-19)21(25)23-14-16-6-8-17(9-7-16)15-24-28(26,27)20-4-2-1-3-5-20/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluorobenzamide has a molecular weight of 398.46 g/mol, XLogP of 3.23, 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]-4-fluorobenzamide is sourced from PubChem (CID 130431454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).