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

C17H18N2O4S — CID 71801563

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2ccccn2)C1
InChIInChI=1S/C17H18N2O4S/c20-24(21,14-4-5-16-17(11-14)23-10-9-22-16)19-8-6-13(12-19)15-3-1-2-7-18-15/h1-5,7,11,13H,6,8-10,12H2
InChIKeyHJFIORSCLAGVSD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.03
Rot. Bonds3

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

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine (PubChem CID 71801563) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine
PubChem CID71801563
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2ccccn2)C1
InChIInChI=1S/C17H18N2O4S/c20-24(21,14-4-5-16-17(11-14)23-10-9-22-16)19-8-6-13(12-19)15-3-1-2-7-18-15/h1-5,7,11,13H,6,8-10,12H2
InChIKeyHJFIORSCLAGVSD-UHFFFAOYSA-N
XLogP2.03
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121325256
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)pyridin-2-Ylmethyl]piperidin-1-Yl}propoxy)benzenesulfonamide
CID 73010398
N-(pyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722533
3,4-dimethoxy-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237445
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 817443
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-pyridinylsulfonyl)piperazine
CID 25243746
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(1-oxidopyridin-1-ium-2-yl)sulfonylpiperazine
CID 25243747
4-(3-(4-(Cyclopentyl(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzenesulfonamide
CID 71777749
3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 768995
4-(2-methoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 983975
3,4-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 1511087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine (CID 71801563) is 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2ccccn2)C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine?
The InChIKey is HJFIORSCLAGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-24(21,14-4-5-16-17(11-14)23-10-9-22-16)19-8-6-13(12-19)15-3-1-2-7-18-15/h1-5,7,11,13H,6,8-10,12H2.
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine?
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine has a molecular weight of 346.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 71801563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).