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

C16H15F3N2O3S — CID 110293770

IUPAC2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O3S/c17-13-8-7-12(14(18)15(13)19)16(22)21-9-1-2-10-3-5-11(6-4-10)25(20,23)24/h3-8H,1-2,9H2,(H,21,22)(H2,20,23,24)
InChIKeyCJWNAZWLVJEDRL-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.11
Rot. Bonds6

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

2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (PubChem CID 110293770) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
PubChem CID110293770
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O3S/c17-13-8-7-12(14(18)15(13)19)16(22)21-9-1-2-10-3-5-11(6-4-10)25(20,23)24/h3-8H,1-2,9H2,(H,21,22)(H2,20,23,24)
InChIKeyCJWNAZWLVJEDRL-UHFFFAOYSA-N
XLogP2.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 17248737
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60906071
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (CID 110293770) is 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide is NS(=O)(=O)c1ccc(CCCNC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The InChIKey is CJWNAZWLVJEDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-13-8-7-12(14(18)15(13)19)16(22)21-9-1-2-10-3-5-11(6-4-10)25(20,23)24/h3-8H,1-2,9H2,(H,21,22)(H2,20,23,24).
What are the key properties of 2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide has a molecular weight of 372.37 g/mol, XLogP of 2.11, 6 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-[3-(4-sulfamoylphenyl)propyl]benzamide is sourced from PubChem (CID 110293770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).