[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

C15H18N2O5S — CID 7976917

IUPAC[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C15H18N2O5S/c1-11(9-16)22-15(18)12-4-2-6-14(8-12)23(19,20)17-10-13-5-3-7-21-13/h2,4,6,8,11,13,17H,3,5,7,10H2,1H3/t11-,13-/m1/s1
InChIKeyJXHWQZHHOSBJPU-DGCLKSJQSA-N
MW338.39 g/mol
LogP1.21
Rot. Bonds6

About [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (PubChem CID 7976917) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
PubChem CID7976917
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C15H18N2O5S/c1-11(9-16)22-15(18)12-4-2-6-14(8-12)23(19,20)17-10-13-5-3-7-21-13/h2,4,6,8,11,13,17H,3,5,7,10H2,1H3/t11-,13-/m1/s1
InChIKeyJXHWQZHHOSBJPU-DGCLKSJQSA-N
XLogP1.21
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate 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

[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
[(1R)-1-cyanoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973838
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The IUPAC name of [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (CID 7976917) is [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The canonical SMILES for [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The InChIKey is JXHWQZHHOSBJPU-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-11(9-16)22-15(18)12-4-2-6-14(8-12)23(19,20)17-10-13-5-3-7-21-13/h2,4,6,8,11,13,17H,3,5,7,10H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate has a molecular weight of 338.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 7976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).