2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide

C13H15ClN2O3S — CID 75478804

IUPAC2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)N(C)C2(C#N)CCOC2)c1
InChIInChI=1S/C13H15ClN2O3S/c1-10-3-4-11(14)12(7-10)20(17,18)16(2)13(8-15)5-6-19-9-13/h3-4,7H,5-6,9H2,1-2H3
InChIKeyUFRGPCZCRHUAON-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.95
Rot. Bonds3

About 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide

2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide (PubChem CID 75478804) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide
PubChem CID75478804
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)N(C)C2(C#N)CCOC2)c1
InChIInChI=1S/C13H15ClN2O3S/c1-10-3-4-11(14)12(7-10)20(17,18)16(2)13(8-15)5-6-19-9-13/h3-4,7H,5-6,9H2,1-2H3
InChIKeyUFRGPCZCRHUAON-UHFFFAOYSA-N
XLogP1.95
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide 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

5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
CID 75478474
N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 99624673
1-(5-chloro-2-fluorophenyl)-N-[(3R)-3-cyanooxolan-3-yl]-N-methylmethanesulfonamide
CID 99842239
N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide
CID 75483858
N-[(3R)-3-cyanooxolan-3-yl]-4-(ethylsulfonylamino)-2-methoxy-N-methylbenzenesulfonamide
CID 97309005
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 166264667
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 75458245
N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
CID 94700792
4-chloro-N-(1-cyanocyclobutyl)-2-fluoro-N-methylbenzenesulfonamide
CID 75477617
3-(dibenzylamino)oxolane-3-carbonitrile
CID 71254443
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 75483847

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide (CID 75478804) is 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)N(C)C2(C#N)CCOC2)c1.
What is the InChIKey of 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide?
The InChIKey is UFRGPCZCRHUAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-10-3-4-11(14)12(7-10)20(17,18)16(2)13(8-15)5-6-19-9-13/h3-4,7H,5-6,9H2,1-2H3.
What are the key properties of 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide?
2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 75478804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).