1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole

C18H20N2O4S2 — CID 43811959

IUPAC1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCC1
InChIInChI=1S/C18H20N2O4S2/c21-25(22,19-11-3-4-12-19)16-7-5-8-17(14-16)26(23,24)20-13-10-15-6-1-2-9-18(15)20/h1-2,5-9,14H,3-4,10-13H2
InChIKeyXUMVJOGLYPOVMD-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole

1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 43811959) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID43811959
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCC1
InChIInChI=1S/C18H20N2O4S2/c21-25(22,19-11-3-4-12-19)16-7-5-8-17(14-16)26(23,24)20-13-10-15-6-1-2-9-18(15)20/h1-2,5-9,14H,3-4,10-13H2
InChIKeyXUMVJOGLYPOVMD-UHFFFAOYSA-N
XLogP2.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
(3aS,7aR)-2-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-3-ium
CID 2315668
(2,6-dichlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406084
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole (CID 43811959) is 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is XUMVJOGLYPOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c21-25(22,19-11-3-4-12-19)16-7-5-8-17(14-16)26(23,24)20-13-10-15-6-1-2-9-18(15)20/h1-2,5-9,14H,3-4,10-13H2.
What are the key properties of 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole?
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 392.50 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 43811959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).