N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide

C9H12F3NO4S — CID 136534251

IUPACN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccco1)C(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO4S/c1-2-6(8(14)9(10,11)12)13-18(15,16)7-4-3-5-17-7/h3-6,8,13-14H,2H2,1H3
InChIKeyHHOCMVLJHJQBLO-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.26
Rot. Bonds5

About N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide

N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide (PubChem CID 136534251) has the molecular formula C9H12F3NO4S and a molecular weight of 287.26 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide
PubChem CID136534251
Molecular FormulaC9H12F3NO4S
Molecular Weight287.26 g/mol
Exact Mass287.04
IUPAC NameN-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccco1)C(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO4S/c1-2-6(8(14)9(10,11)12)13-18(15,16)7-4-3-5-17-7/h3-6,8,13-14H,2H2,1H3
InChIKeyHHOCMVLJHJQBLO-UHFFFAOYSA-N
XLogP1.26
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide (CID 136534251) is N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide is CCC(NS(=O)(=O)c1ccco1)C(O)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide?
The InChIKey is HHOCMVLJHJQBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4S/c1-2-6(8(14)9(10,11)12)13-18(15,16)7-4-3-5-17-7/h3-6,8,13-14H,2H2,1H3.
What are the key properties of N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide?
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide has a molecular weight of 287.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 136534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).