4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

C16H26N2O3S — CID 119976561

IUPAC4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26N2O3S/c1-5-8-18(14-6-7-17-11-14)22(19,20)16-10-12(2)15(21-4)9-13(16)3/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyWDUIEZAMBXPHJY-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.07
Rot. Bonds6

About 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide

4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 119976561) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID119976561
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCCN(C1CCNC1)S(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H26N2O3S/c1-5-8-18(14-6-7-17-11-14)22(19,20)16-10-12(2)15(21-4)9-13(16)3/h9-10,14,17H,5-8,11H2,1-4H3
InChIKeyWDUIEZAMBXPHJY-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2,5-dimethyl-N-propyl-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

4-methoxy-3-methyl-N-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 6463582
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
4-methoxy-2,3,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991857
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
4-Methoxy-2,5-dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 653046
1-(4-Methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 849957
1-(4-Methoxy-2,3-dimethylphenyl)sulfonylpyrrolidine
CID 970938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 119976561) is 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCCN(C1CCNC1)S(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is WDUIEZAMBXPHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-8-18(14-6-7-17-11-14)22(19,20)16-10-12(2)15(21-4)9-13(16)3/h9-10,14,17H,5-8,11H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide?
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119976561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).