2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide

C17H19N3O4S — CID 99804615

IUPAC2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19N3O4S/c18-25(21,22)16-4-1-7-19-17(16)20-8-2-3-13(20)12-5-6-14-15(11-12)24-10-9-23-14/h1,4-7,11,13H,2-3,8-10H2,(H2,18,21,22)/t13-/m1/s1
InChIKeyVQDKCJWURCAWHG-CYBMUJFWSA-N
MW361.42 g/mol
LogP1.84
Rot. Bonds3

About 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide

2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 99804615) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID99804615
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19N3O4S/c18-25(21,22)16-4-1-7-19-17(16)20-8-2-3-13(20)12-5-6-14-15(11-12)24-10-9-23-14/h1,4-7,11,13H,2-3,8-10H2,(H2,18,21,22)/t13-/m1/s1
InChIKeyVQDKCJWURCAWHG-CYBMUJFWSA-N
XLogP1.84
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide 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

6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9116376
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
CID 154771448
2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 154752897
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine
CID 95264819
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 51169907
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole
CID 24632103
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 55353950
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122047555
1-(2,6-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 51169909
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidine
CID 31534540
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51886207

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 99804615) is 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is VQDKCJWURCAWHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O4S/c18-25(21,22)16-4-1-7-19-17(16)20-8-2-3-13(20)12-5-6-14-15(11-12)24-10-9-23-14/h1,4-7,11,13H,2-3,8-10H2,(H2,18,21,22)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide?
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 99804615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).