2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride

C9H9ClF3NO4S — CID 65396850

IUPAC2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NCCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO4S/c1-5-7(19(10,16)17)4-6(18-5)8(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeySBWDFCDGCWOCBV-UHFFFAOYSA-N
MW319.69 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride

2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride (PubChem CID 65396850) has the molecular formula C9H9ClF3NO4S and a molecular weight of 319.69 g/mol. Its IUPAC name is 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride
PubChem CID65396850
Molecular FormulaC9H9ClF3NO4S
Molecular Weight319.69 g/mol
Exact Mass318.99
IUPAC Name2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride
SMILESCc1oc(C(=O)NCCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO4S/c1-5-7(19(10,16)17)4-6(18-5)8(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeySBWDFCDGCWOCBV-UHFFFAOYSA-N
XLogP2.20
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-[(phenylsulfonyl)methyl]-2-furamide
CID 3239466
1-{2-[(5-Dimethylsulfamoyl-furan-2-carbonyl)-amino]-ethyl}-1-methyl-azepanium
CID 24747087
5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide
CID 6620518
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819901
5-piperidin-1-ylsulfonyl-N-propylfuran-2-carboxamide
CID 40062837
5-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)furan-2-carboxamide
CID 56782886
N-ethyl-1-(5-ethylfuran-2-carbonyl)pyrrolidine-3-sulfonamide
CID 84594210
5-methyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 40235138
5-Carbamoyl-2-methylfuran-3-sulfonyl chloride
CID 65367587
N-(2-methoxyethyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39877737
N-cyclopropyl-2-methyl-5-(pyrrolidine-1-carbonyl)furan-3-sulfonamide
CID 45497241
5-(Butylcarbamoylsulfamoyl)furan-2-carboxamide
CID 2298963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride (CID 65396850) is 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride is Cc1oc(C(=O)NCCC(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride?
The InChIKey is SBWDFCDGCWOCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO4S/c1-5-7(19(10,16)17)4-6(18-5)8(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride?
2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride has a molecular weight of 319.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,3-trifluoropropylcarbamoyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 65396850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).