N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide

C10H14F2N2O3S — CID 113318779

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)NCC(O)C(F)F
InChIInChI=1S/C10H14F2N2O3S/c11-10(12)9(15)7-14-18(16,17)6-3-8-1-4-13-5-2-8/h1-2,4-5,9-10,14-15H,3,6-7H2
InChIKeyNDJIPSUHUWJOQT-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.17
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 113318779) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID113318779
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)NCC(O)C(F)F
InChIInChI=1S/C10H14F2N2O3S/c11-10(12)9(15)7-14-18(16,17)6-3-8-1-4-13-5-2-8/h1-2,4-5,9-10,14-15H,3,6-7H2
InChIKeyNDJIPSUHUWJOQT-UHFFFAOYSA-N
XLogP0.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide (CID 113318779) is N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is NDJIPSUHUWJOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c11-10(12)9(15)7-14-18(16,17)6-3-8-1-4-13-5-2-8/h1-2,4-5,9-10,14-15H,3,6-7H2.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 280.30 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 113318779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).