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

C14H18N2O3S — CID 94195591

IUPAC2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
SMILESCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-16(11-13-7-4-5-9-19-13)20(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9,11H2,1H3/t13-/m1/s1
InChIKeyCTGCXXJLEJTPPO-CYBMUJFWSA-N
MW294.38 g/mol
LogP1.75
Rot. Bonds4

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

2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide (PubChem CID 94195591) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
PubChem CID94195591
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
SMILESCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O3S/c1-16(11-13-7-4-5-9-19-13)20(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9,11H2,1H3/t13-/m1/s1
InChIKeyCTGCXXJLEJTPPO-CYBMUJFWSA-N
XLogP1.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436120
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N,2,3-trimethyl-5-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825297
4-chloro-N-methyl-2-nitro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 86825290
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide (CID 94195591) is 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide is CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide?
The InChIKey is CTGCXXJLEJTPPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(11-13-7-4-5-9-19-13)20(17,18)14-8-3-2-6-12(14)10-15/h2-3,6,8,13H,4-5,7,9,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide?
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 94195591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).