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

C18H19N3O3S — CID 100702588

IUPAC2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H19N3O3S/c19-12-15-4-1-2-6-17(15)25(22,23)21-18(14-7-10-24-11-8-14)16-5-3-9-20-13-16/h1-6,9,13-14,18,21H,7-8,10-11H2/t18-/m1/s1
InChIKeyKSWPOAYJRZBPRE-GOSISDBHSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds5

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

2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide (PubChem CID 100702588) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
PubChem CID100702588
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H19N3O3S/c19-12-15-4-1-2-6-17(15)25(22,23)21-18(14-7-10-24-11-8-14)16-5-3-9-20-13-16/h1-6,9,13-14,18,21H,7-8,10-11H2/t18-/m1/s1
InChIKeyKSWPOAYJRZBPRE-GOSISDBHSA-N
XLogP2.40
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide
CID 42962447
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 100702660
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
CID 128502716
(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
CID 117055063
2-methoxy-5-[[(R)-oxan-4-yl(pyridin-3-yl)methyl]sulfamoyl]benzamide
CID 100702775
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide (CID 100702588) is 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccnc1)C1CCOCC1.
What is the InChIKey of 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide?
The InChIKey is KSWPOAYJRZBPRE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O3S/c19-12-15-4-1-2-6-17(15)25(22,23)21-18(14-7-10-24-11-8-14)16-5-3-9-20-13-16/h1-6,9,13-14,18,21H,7-8,10-11H2/t18-/m1/s1.
What are the key properties of 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide?
2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 100702588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).