3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

C12H18N2O4S — CID 119967317

IUPAC3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NC2CCNC2)c1
InChIInChI=1S/C12H18N2O4S/c1-17-10-5-11(18-2)7-12(6-10)19(15,16)14-9-3-4-13-8-9/h5-7,9,13-14H,3-4,8H2,1-2H3
InChIKeyIAZLUNYQFGMXIW-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.34
Rot. Bonds5

About 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 119967317) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID119967317
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)NC2CCNC2)c1
InChIInChI=1S/C12H18N2O4S/c1-17-10-5-11(18-2)7-12(6-10)19(15,16)14-9-3-4-13-8-9/h5-7,9,13-14H,3-4,8H2,1-2H3
InChIKeyIAZLUNYQFGMXIW-UHFFFAOYSA-N
XLogP0.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide 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

3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
dimethyl 5-(pyrrolidin-3-ylsulfamoyl)benzene-1,3-dicarboxylate;hydrochloride
CID 119967037
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (CID 119967317) is 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is COc1cc(OC)cc(S(=O)(=O)NC2CCNC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is IAZLUNYQFGMXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-10-5-11(18-2)7-12(6-10)19(15,16)14-9-3-4-13-8-9/h5-7,9,13-14H,3-4,8H2,1-2H3.
What are the key properties of 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119967317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).