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

C15H20N2O3S — CID 110604975

IUPAC2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCN(CCC1CCCCO1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H20N2O3S/c1-17(10-9-14-7-4-5-11-20-14)21(18,19)15-8-3-2-6-13(15)12-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeySKYZZXWQQAIHPS-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.14
Rot. Bonds5

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

2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 110604975) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID110604975
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCN(CCC1CCCCO1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H20N2O3S/c1-17(10-9-14-7-4-5-11-20-14)21(18,19)15-8-3-2-6-13(15)12-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3
InChIKeySKYZZXWQQAIHPS-UHFFFAOYSA-N
XLogP2.14
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methylbenzenesulfonamide
CID 131929212
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-methyl-1-(4-methylphenyl)-N-[2-(oxan-2-yl)ethyl]methanesulfonamide
CID 110604942
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 110604975) is 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is CN(CCC1CCCCO1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SKYZZXWQQAIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(10-9-14-7-4-5-11-20-14)21(18,19)15-8-3-2-6-13(15)12-16/h2-3,6,8,14H,4-5,7,9-11H2,1H3.
What are the key properties of 2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.14, 5 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-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110604975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).