N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide

C10H12F3NO3S — CID 11818405

IUPACN-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESC=CCCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-3-4-7-14(9-6-5-8(2)17-9)18(15,16)10(11,12)13/h3,5-6H,1,4,7H2,2H3
InChIKeyHYTVKIJXSGFQKO-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.82
Rot. Bonds5

About N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide

N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide (PubChem CID 11818405) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
PubChem CID11818405
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC NameN-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESC=CCCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-3-4-7-14(9-6-5-8(2)17-9)18(15,16)10(11,12)13/h3,5-6H,1,4,7H2,2H3
InChIKeyHYTVKIJXSGFQKO-UHFFFAOYSA-N
XLogP2.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-Methylfuran-2-yl)-(trifluoromethylsulfonyl)amino]propanoic acid
CID 11012063
5-Trifluoromethyl-2-acetamidofuran
CID 85934454
N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
CID 101229344
1,1,1-trifluoro-N-(5-methylfuran-2-yl)-N-prop-2-enylmethanesulfonamide
CID 101229345
1,1,1-trifluoro-N-(3-methylbut-3-enyl)-N-(5-methylfuran-2-yl)methanesulfonamide
CID 101229348
N-butyl-N-[5-(difluoromethyl)furan-2-yl]-4-methylbenzenesulfonamide
CID 176428279
N-butyl-N-[5-(difluoromethyl)furan-2-yl]methanesulfonamide
CID 176428281
1-(5-Methylfuran-2-yl)-4-(prop-2-enoyl)piperazin-2-one
CID 126817009
N-[5-(trifluoromethyl)furan-2-yl]methanesulfonamide
CID 59588879
N,N-dimethyl-5-(trifluoromethyl)furan-2-amine
CID 167181620
N-methyl-5-(trifluoromethyl)furan-2-amine
CID 174679528
5-(difluoromethyl)-N-methylfuran-2-amine
CID 175261134

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The IUPAC name of N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide (CID 11818405) is N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide.
What is the SMILES notation for N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The canonical SMILES for N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide is C=CCCN(c1ccc(C)o1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The InChIKey is HYTVKIJXSGFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-3-4-7-14(9-6-5-8(2)17-9)18(15,16)10(11,12)13/h3,5-6H,1,4,7H2,2H3.
What are the key properties of N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide is sourced from PubChem (CID 11818405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).