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

C12H15F3N2O3S — CID 60906071

IUPAC3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)8-11(18)17-7-1-2-9-3-5-10(6-4-9)21(16,19)20/h3-6H,1-2,7-8H2,(H,17,18)(H2,16,19,20)
InChIKeyOOVUMVGFIQBUBT-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.34
Rot. Bonds6

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

3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide (PubChem CID 60906071) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
PubChem CID60906071
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)8-11(18)17-7-1-2-9-3-5-10(6-4-9)21(16,19)20/h3-6H,1-2,7-8H2,(H,17,18)(H2,16,19,20)
InChIKeyOOVUMVGFIQBUBT-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
N-[2-(4-aminophenyl)ethyl]-3,3,3-trifluoropropanamide;hydrochloride
CID 119548642
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110301247
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide (CID 60906071) is 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide is NS(=O)(=O)c1ccc(CCCNC(=O)CC(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The InChIKey is OOVUMVGFIQBUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)8-11(18)17-7-1-2-9-3-5-10(6-4-9)21(16,19)20/h3-6H,1-2,7-8H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide has a molecular weight of 324.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide is sourced from PubChem (CID 60906071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).