3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide

C18H19N3O4S — CID 133268312

IUPAC3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C18H19N3O4S/c1-13-5-6-15(11-20-13)25-18-12-24-8-7-17(18)21-26(22,23)16-4-2-3-14(9-16)10-19/h2-6,9,11,17-18,21H,7-8,12H2,1H3/t17-,18+/m0/s1
InChIKeyHPIBMLKBOBNSCC-ZWKOTPCHSA-N
MW373.43 g/mol
LogP1.78
Rot. Bonds5

About 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide

3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide (PubChem CID 133268312) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide
PubChem CID133268312
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide
SMILESCc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2cccc(C#N)c2)cn1
InChIInChI=1S/C18H19N3O4S/c1-13-5-6-15(11-20-13)25-18-12-24-8-7-17(18)21-26(22,23)16-4-2-3-14(9-16)10-19/h2-6,9,11,17-18,21H,7-8,12H2,1H3/t17-,18+/m0/s1
InChIKeyHPIBMLKBOBNSCC-ZWKOTPCHSA-N
XLogP1.78
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2,5-dimethylpyrazole-3-sulfonamide
CID 91773650
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 133266438
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
CID 91787096
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
2-ethoxy-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyridine-3-carboxamide
CID 133267607
4-methoxy-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]pyrimidin-2-amine
CID 91759839
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide (CID 133268312) is 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide is Cc1ccc(O[C@@H]2COCC[C@@H]2NS(=O)(=O)c2cccc(C#N)c2)cn1.
What is the InChIKey of 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide?
The InChIKey is HPIBMLKBOBNSCC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13-5-6-15(11-20-13)25-18-12-24-8-7-17(18)21-26(22,23)16-4-2-3-14(9-16)10-19/h2-6,9,11,17-18,21H,7-8,12H2,1H3/t17-,18+/m0/s1.
What are the key properties of 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide?
3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 133268312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).