3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C14H18N2O3S — CID 63708026

IUPAC3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-16(10-13-5-3-7-19-11-13)20(17,18)14-6-2-4-12(8-14)9-15/h2,4,6,8,13H,3,5,7,10-11H2,1H3
InChIKeyLBDGCIVQOMIOSI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.61
Rot. Bonds4

About 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 63708026) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID63708026
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-16(10-13-5-3-7-19-11-13)20(17,18)14-6-2-4-12(8-14)9-15/h2,4,6,8,13H,3,5,7,10-11H2,1H3
InChIKeyLBDGCIVQOMIOSI-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 63708026) is 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is CN(CC1CCCOC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is LBDGCIVQOMIOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(10-13-5-3-7-19-11-13)20(17,18)14-6-2-4-12(8-14)9-15/h2,4,6,8,13H,3,5,7,10-11H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63708026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).