5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide

C9H11F3N2O4S — CID 112527770

IUPAC5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3N2O4S/c1-13-19(16,17)7-3-2-6(18-7)8(15)14-5-4-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyIBTLKAGACOMYKD-UHFFFAOYSA-N
MW300.26 g/mol
LogP0.87
Rot. Bonds5

About 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide

5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide (PubChem CID 112527770) has the molecular formula C9H11F3N2O4S and a molecular weight of 300.26 g/mol. Its IUPAC name is 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
PubChem CID112527770
Molecular FormulaC9H11F3N2O4S
Molecular Weight300.26 g/mol
Exact Mass300.04
IUPAC Name5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3N2O4S/c1-13-19(16,17)7-3-2-6(18-7)8(15)14-5-4-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyIBTLKAGACOMYKD-UHFFFAOYSA-N
XLogP0.87
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
5-(methylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 46438806
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
5-(methylsulfamoyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 39898259
2-[4-[2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255846
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 139001218
N-(2-methyl-2-morpholin-4-ylpropyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55648055
N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 51127790
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119527259
5-chloro-N-(5,5,5-trifluoropentyl)furan-2-carboxamide
CID 103839345

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide?
The IUPAC name of 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide (CID 112527770) is 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCCC(F)(F)F)o1.
What is the InChIKey of 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide?
The InChIKey is IBTLKAGACOMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4S/c1-13-19(16,17)7-3-2-6(18-7)8(15)14-5-4-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide?
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide has a molecular weight of 300.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide is sourced from PubChem (CID 112527770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).