5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide

C11H15F3N2O4S — CID 115491569

IUPAC5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
SMILESCc1oc(C(=O)NCCCCC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O4S/c1-7-9(21(15,18)19)6-8(20-7)10(17)16-5-3-2-4-11(12,13)14/h6H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGWGCHKJEQBRNHG-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.70
Rot. Bonds6

About 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide

5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide (PubChem CID 115491569) has the molecular formula C11H15F3N2O4S and a molecular weight of 328.31 g/mol. Its IUPAC name is 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
PubChem CID115491569
Molecular FormulaC11H15F3N2O4S
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Name5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
SMILESCc1oc(C(=O)NCCCCC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C11H15F3N2O4S/c1-7-9(21(15,18)19)6-8(20-7)10(17)16-5-3-2-4-11(12,13)14/h6H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGWGCHKJEQBRNHG-UHFFFAOYSA-N
XLogP1.70
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.70
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-methyl-N-(3-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 115688805
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
2-[4-[2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255862
N-cyclobutyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65389029
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
6-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]hexanoic acid
CID 119352297
5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 103839345
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
tert-butyl 5-methyl-4-sulfamoylfuran-2-carboxylate
CID 65382030

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide (CID 115491569) is 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide is Cc1oc(C(=O)NCCCCC(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
The InChIKey is GWGCHKJEQBRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S/c1-7-9(21(15,18)19)6-8(20-7)10(17)16-5-3-2-4-11(12,13)14/h6H,2-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide?
5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide has a molecular weight of 328.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-sulfamoyl-N-(5,5,5-trifluoropentyl)furan-2-carboxamide is sourced from PubChem (CID 115491569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).