5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C9H10F4N2O3S — CID 107483726

IUPAC5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F4N2O3S/c10-7-3-8(5-14-4-7)19(17,18)15(1-2-16)6-9(11,12)13/h3-5,16H,1-2,6H2
InChIKeyMXWMLIDBIFPADD-UHFFFAOYSA-N
MW302.25 g/mol
LogP0.77
Rot. Bonds5

About 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 107483726) has the molecular formula C9H10F4N2O3S and a molecular weight of 302.25 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID107483726
Molecular FormulaC9H10F4N2O3S
Molecular Weight302.25 g/mol
Exact Mass302.03
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cncc(F)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H10F4N2O3S/c10-7-3-8(5-14-4-7)19(17,18)15(1-2-16)6-9(11,12)13/h3-5,16H,1-2,6H2
InChIKeyMXWMLIDBIFPADD-UHFFFAOYSA-N
XLogP0.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107492981
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107483729
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877060
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 107485955
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
3-cyano-4-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107479743
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483813
3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115328994
2-[(3,5-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265453

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 107483726) is 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1cncc(F)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is MXWMLIDBIFPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O3S/c10-7-3-8(5-14-4-7)19(17,18)15(1-2-16)6-9(11,12)13/h3-5,16H,1-2,6H2.
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 302.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107483726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).