4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide

C18H19N3O4S — CID 91788011

IUPAC4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1
InChIInChI=1S/C18H19N3O4S/c19-11-14-4-6-16(7-5-14)26(22,23)21-17-13-24-10-8-18(17)25-12-15-3-1-2-9-20-15/h1-7,9,17-18,21H,8,10,12-13H2/t17-,18-/m1/s1
InChIKeySEDKNJYJIDMAOB-QZTJIDSGSA-N
MW373.43 g/mol
LogP1.61
Rot. Bonds6

About 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide

4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide (PubChem CID 91788011) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide
PubChem CID91788011
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1
InChIInChI=1S/C18H19N3O4S/c19-11-14-4-6-16(7-5-14)26(22,23)21-17-13-24-10-8-18(17)25-12-15-3-1-2-9-20-15/h1-7,9,17-18,21H,8,10,12-13H2/t17-,18-/m1/s1
InChIKeySEDKNJYJIDMAOB-QZTJIDSGSA-N
XLogP1.61
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[4-(Trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469
4-fluoro-N-[trans-3-(pyridin-2-ylmethoxy)tetrahydro-2H-pyran-4-yl]benzenesulfonamide
CID 91790464
4-({4-[3-Methoxy-2-(pyridin-3-YL)azetidin-1-YL]piperidin-1-YL}sulfonyl)benzonitrile
CID 124049113
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]pyridine-3-sulfonamide
CID 100751542
4-(Fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
CID 19844281
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59155186
(7S)-6-(2,6-difluorophenyl)sulfonyl-7-[(2-methylpropan-2-yl)oxymethyl]-5,7,8,10-tetrahydropyrido[3,2-f][1,4]oxazocine
CID 71277428
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90088049
2-[[[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]pyridine-4-carbonitrile
CID 90830217
4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide
CID 175108751
2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
CID 175789619
(2S)-2-ethenyl-4-(4-methylphenyl)sulfonyl-6-pyridin-2-yl-2,3-dihydro-1,4-oxazine
CID 138964295

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide (CID 91788011) is 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1.
What is the InChIKey of 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide?
The InChIKey is SEDKNJYJIDMAOB-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19N3O4S/c19-11-14-4-6-16(7-5-14)26(22,23)21-17-13-24-10-8-18(17)25-12-15-3-1-2-9-20-15/h1-7,9,17-18,21H,8,10,12-13H2/t17-,18-/m1/s1.
What are the key properties of 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide?
4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 91788011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).