2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide

C14H11F3N2O3S — CID 17248737

IUPAC2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3N2O3S/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKeyIVUBOJGPRMABII-UHFFFAOYSA-N
MW344.31 g/mol
LogP1.68
Rot. Bonds4

About 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide

2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 17248737) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID17248737
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3N2O3S/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKeyIVUBOJGPRMABII-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
1-(2,3,4,5,6-pentafluorophenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 11269442
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
4-fluoro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9166306
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 17248737) is 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is IVUBOJGPRMABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c15-11-6-5-10(12(16)13(11)17)14(20)19-7-8-1-3-9(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide?
2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 344.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 17248737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).