N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide

C21H16F4N2O4S — CID 73054561

IUPACN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@]1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C21H16F4N2O4S/c22-16-13-14(8-9-17(16)31-21(23,24)25)20(10-12-30-18-7-4-11-26-19(18)20)27-32(28,29)15-5-2-1-3-6-15/h1-9,11,13,27H,10,12H2/t20-/m0/s1
InChIKeyOLOGIXJBDDXIDW-FQEVSTJZSA-N
MW468.43 g/mol
LogP4.12
Rot. Bonds5

About N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide

N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide (PubChem CID 73054561) has the molecular formula C21H16F4N2O4S and a molecular weight of 468.43 g/mol. Its IUPAC name is N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide
PubChem CID73054561
Molecular FormulaC21H16F4N2O4S
Molecular Weight468.43 g/mol
Exact Mass468.08
IUPAC NameN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@]1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1ccccc1
InChIInChI=1S/C21H16F4N2O4S/c22-16-13-14(8-9-17(16)31-21(23,24)25)20(10-12-30-18-7-4-11-26-19(18)20)27-32(28,29)15-5-2-1-3-6-15/h1-9,11,13,27H,10,12H2/t20-/m0/s1
InChIKeyOLOGIXJBDDXIDW-FQEVSTJZSA-N
XLogP4.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 158323683
N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]pyridine-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 159779083
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]azetidine-1-carboxamide
CID 90039488
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide
CID 90039476
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-(2,2,2-trifluoroacetyl)benzamide;2,2,2-trifluoroacetic acid
CID 90039294
4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-hydroxybenzoic acid
CID 90038730
5-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 90039489
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123628649
1-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3-pyrazin-2-ylurea
CID 90039885
5-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-methoxybenzoic acid
CID 90039865
1-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2-methylpropane-2-sulfonamide
CID 140666010
methyl 2-[[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoylamino]benzoate
CID 90039518

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide?
The IUPAC name of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide (CID 73054561) is N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide is O=S(=O)(N[C@]1(c2ccc(OC(F)(F)F)c(F)c2)CCOc2cccnc21)c1ccccc1.
What is the InChIKey of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide?
The InChIKey is OLOGIXJBDDXIDW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H16F4N2O4S/c22-16-13-14(8-9-17(16)31-21(23,24)25)20(10-12-30-18-7-4-11-26-19(18)20)27-32(28,29)15-5-2-1-3-6-15/h1-9,11,13,27H,10,12H2/t20-/m0/s1.
What are the key properties of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide?
N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide has a molecular weight of 468.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 73054561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).