5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide

C10H13F3N2O3S2 — CID 115491568

IUPAC5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCCC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O3S2/c11-10(12,13)3-1-2-4-15-9(16)7-5-8(19-6-7)20(14,17)18/h5-6H,1-4H2,(H,15,16)(H2,14,17,18)
InChIKeyVKULILVVYWCWAG-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.86
Rot. Bonds6

About 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide

5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide (PubChem CID 115491568) has the molecular formula C10H13F3N2O3S2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
PubChem CID115491568
Molecular FormulaC10H13F3N2O3S2
Molecular Weight330.35 g/mol
Exact Mass330.03
IUPAC Name5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCCC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O3S2/c11-10(12,13)3-1-2-4-15-9(16)7-5-8(19-6-7)20(14,17)18/h5-6H,1-4H2,(H,15,16)(H2,14,17,18)
InChIKeyVKULILVVYWCWAG-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
CID 56804960
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
CID 115515900
5-(4-hydroxybut-1-ynyl)-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115521794
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 115491569
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
N-(3-aminopropyl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 110834051

Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The IUPAC name of 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide (CID 115491568) is 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The canonical SMILES for 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide is NS(=O)(=O)c1cc(C(=O)NCCCCC(F)(F)F)cs1.
What is the InChIKey of 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
The InChIKey is VKULILVVYWCWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S2/c11-10(12,13)3-1-2-4-15-9(16)7-5-8(19-6-7)20(14,17)18/h5-6H,1-4H2,(H,15,16)(H2,14,17,18).
What are the key properties of 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide?
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide is sourced from PubChem (CID 115491568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).