4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C15H25ClN2O3S — CID 120707629

IUPAC4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNC2)cc1C(C)C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10(2)13-8-15(11(3)7-14(13)20-4)21(18,19)17-12-5-6-16-9-12;/h7-8,10,12,16-17H,5-6,9H2,1-4H3;1H
InChIKeyWBIAJTZUTNCINS-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.19
Rot. Bonds5

About 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 120707629) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID120707629
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC Name4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNC2)cc1C(C)C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10(2)13-8-15(11(3)7-14(13)20-4)21(18,19)17-12-5-6-16-9-12;/h7-8,10,12,16-17H,5-6,9H2,1-4H3;1H
InChIKeyWBIAJTZUTNCINS-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride 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-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 120713778
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133200353
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711306
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006739
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 120707629) is 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NC2CCNC2)cc1C(C)C.Cl.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is WBIAJTZUTNCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-10(2)13-8-15(11(3)7-14(13)20-4)21(18,19)17-12-5-6-16-9-12;/h7-8,10,12,16-17H,5-6,9H2,1-4H3;1H.
What are the key properties of 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).