N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide

C11H9F3N2O3S — CID 118138042

IUPACN-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)o1)c1ccccn1
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)9-5-4-8(19-9)7-16-20(17,18)10-3-1-2-6-15-10/h1-6,16H,7H2
InChIKeyWORQCRXAUILAPO-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.17
Rot. Bonds4

About N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide

N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide (PubChem CID 118138042) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
PubChem CID118138042
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC NameN-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)o1)c1ccccn1
InChIInChI=1S/C11H9F3N2O3S/c12-11(13,14)9-5-4-8(19-9)7-16-20(17,18)10-3-1-2-6-15-10/h1-6,16H,7H2
InChIKeyWORQCRXAUILAPO-UHFFFAOYSA-N
XLogP2.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The IUPAC name of N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide (CID 118138042) is N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)o1)c1ccccn1.
What is the InChIKey of N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
The InChIKey is WORQCRXAUILAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c12-11(13,14)9-5-4-8(19-9)7-16-20(17,18)10-3-1-2-6-15-10/h1-6,16H,7H2.
What are the key properties of N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide?
N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide has a molecular weight of 306.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118138042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).