3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C14H18N2O3S — CID 94198707

IUPAC3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3,5,7,9,13H,2,4,6,8,11H2,1H3/t13-/m0/s1
InChIKeyDOPFMSMGHAABHN-ZDUSSCGKSA-N
MW294.38 g/mol
LogP1.75
Rot. Bonds5

About 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 94198707) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID94198707
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3,5,7,9,13H,2,4,6,8,11H2,1H3/t13-/m0/s1
InChIKeyDOPFMSMGHAABHN-ZDUSSCGKSA-N
XLogP1.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3688495
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
CID 66183415

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 94198707) is 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is DOPFMSMGHAABHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-16(11-13-6-4-8-19-13)20(17,18)14-7-3-5-12(9-14)10-15/h3,5,7,9,13H,2,4,6,8,11H2,1H3/t13-/m0/s1.
What are the key properties of 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 94198707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).