N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide

C20H24N2O4S — CID 110287526

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c1-15-6-2-3-7-20(15)27(23,24)21-13-17(22-10-4-5-11-22)16-8-9-18-19(12-16)26-14-25-18/h2-3,6-9,12,17,21H,4-5,10-11,13-14H2,1H3
InChIKeyBOGIOFNHVCANEM-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide

N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 110287526) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
PubChem CID110287526
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1
InChIInChI=1S/C20H24N2O4S/c1-15-6-2-3-7-20(15)27(23,24)21-13-17(22-10-4-5-11-22)16-8-9-18-19(12-16)26-14-25-18/h2-3,6-9,12,17,21H,4-5,10-11,13-14H2,1H3
InChIKeyBOGIOFNHVCANEM-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide 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

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
CID 43956561
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16810191
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 30634002
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylbutanamide
CID 110427617
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 52985984
4-methyl-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 154745470
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 30674112
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 30673567
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110626613

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide (CID 110287526) is N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is BOGIOFNHVCANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-6-2-3-7-20(15)27(23,24)21-13-17(22-10-4-5-11-22)16-8-9-18-19(12-16)26-14-25-18/h2-3,6-9,12,17,21H,4-5,10-11,13-14H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide?
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110287526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).