N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide

C13H13F3N2O4S — CID 138999345

IUPACN-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC(CCO)c1ccco1)c1cccnc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)12-11(4-1-6-17-12)23(20,21)18-9(5-7-19)10-3-2-8-22-10/h1-4,6,8-9,18-19H,5,7H2
InChIKeyIVWZQIBKGCLEAQ-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide

N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 138999345) has the molecular formula C13H13F3N2O4S and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID138999345
Molecular FormulaC13H13F3N2O4S
Molecular Weight350.32 g/mol
Exact Mass350.05
IUPAC NameN-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC(CCO)c1ccco1)c1cccnc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c14-13(15,16)12-11(4-1-6-17-12)23(20,21)18-9(5-7-19)10-3-2-8-22-10/h1-4,6,8-9,18-19H,5,7H2
InChIKeyIVWZQIBKGCLEAQ-UHFFFAOYSA-N
XLogP2.10
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide (CID 138999345) is N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(NC(CCO)c1ccco1)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is IVWZQIBKGCLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O4S/c14-13(15,16)12-11(4-1-6-17-12)23(20,21)18-9(5-7-19)10-3-2-8-22-10/h1-4,6,8-9,18-19H,5,7H2.
What are the key properties of N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide?
N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 350.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 138999345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).