4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide

C26H26N2O5S — CID 41083360

IUPAC4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C26H26N2O5S/c1-18-5-2-3-6-22(18)27-34(30,31)21-11-8-19(9-12-21)26(29)28-14-4-7-23(28)20-10-13-24-25(17-20)33-16-15-32-24/h2-3,5-6,8-13,17,23,27H,4,7,14-16H2,1H3/t23-/m1/s1
InChIKeyLKTLIIZXTPKATM-HSZRJFAPSA-N
MW478.57 g/mol
LogP4.54
Rot. Bonds5

About 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide

4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 41083360) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
PubChem CID41083360
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C26H26N2O5S/c1-18-5-2-3-6-22(18)27-34(30,31)21-11-8-19(9-12-21)26(29)28-14-4-7-23(28)20-10-13-24-25(17-20)33-16-15-32-24/h2-3,5-6,8-13,17,23,27H,4,7,14-16H2,1H3/t23-/m1/s1
InChIKeyLKTLIIZXTPKATM-HSZRJFAPSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide 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

[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 25402710
4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 41083351
N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 41138513
N-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18130250
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 51172225
(3,5-dichlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491178
N-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41080426
N-[4-[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25356577
N-[[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 39964759
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 9320558

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide (CID 41083360) is 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is LKTLIIZXTPKATM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-18-5-2-3-6-22(18)27-34(30,31)21-11-8-19(9-12-21)26(29)28-14-4-7-23(28)20-10-13-24-25(17-20)33-16-15-32-24/h2-3,5-6,8-13,17,23,27H,4,7,14-16H2,1H3/t23-/m1/s1.
What are the key properties of 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 478.57 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 41083360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).