N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide

C21H19FN2O3S — CID 130431465

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C21H19FN2O3S/c22-20-9-5-4-8-19(20)21(25)23-14-16-10-12-17(13-11-16)15-24-28(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyLOEPYMFVNLIJRY-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.23
Rot. Bonds7

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide (PubChem CID 130431465) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide
PubChem CID130431465
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C21H19FN2O3S/c22-20-9-5-4-8-19(20)21(25)23-14-16-10-12-17(13-11-16)15-24-28(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25)
InChIKeyLOEPYMFVNLIJRY-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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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide (CID 130431465) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1F.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide?
The InChIKey is LOEPYMFVNLIJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-20-9-5-4-8-19(20)21(25)23-14-16-10-12-17(13-11-16)15-24-28(26,27)18-6-2-1-3-7-18/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluorobenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 130431465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).