N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide

C14H14F3N3O4S — CID 133290817

IUPACN-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NCCNC(=O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O4S/c15-14(16,17)10-8-9(25(18,22)23)3-4-11(10)19-5-6-20-13(21)12-2-1-7-24-12/h1-4,7-8,19H,5-6H2,(H,20,21)(H2,18,22,23)
InChIKeyMZZCGEPKVWGEFI-UHFFFAOYSA-N
MW377.34 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide

N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide (PubChem CID 133290817) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
PubChem CID133290817
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC NameN-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NCCNC(=O)c2ccco2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O4S/c15-14(16,17)10-8-9(25(18,22)23)3-4-11(10)19-5-6-20-13(21)12-2-1-7-24-12/h1-4,7-8,19H,5-6H2,(H,20,21)(H2,18,22,23)
InChIKeyMZZCGEPKVWGEFI-UHFFFAOYSA-N
XLogP1.79
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide (CID 133290817) is N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(NCCNC(=O)c2ccco2)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
The InChIKey is MZZCGEPKVWGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c15-14(16,17)10-8-9(25(18,22)23)3-4-11(10)19-5-6-20-13(21)12-2-1-7-24-12/h1-4,7-8,19H,5-6H2,(H,20,21)(H2,18,22,23).
What are the key properties of N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide?
N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide has a molecular weight of 377.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-sulfamoyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 133290817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).