1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione

C19H17FN2O4S — CID 25179143

IUPAC1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C19H17FN2O4S/c20-14-5-3-13(4-6-14)12-22-17-8-7-15(11-16(17)18(23)19(22)24)27(25,26)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyXMBJTDKKHXHJMK-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.34
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione

1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione (PubChem CID 25179143) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione
PubChem CID25179143
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C19H17FN2O4S/c20-14-5-3-13(4-6-14)12-22-17-8-7-15(11-16(17)18(23)19(22)24)27(25,26)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2
InChIKeyXMBJTDKKHXHJMK-UHFFFAOYSA-N
XLogP2.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
Isatin Sulfonamide 26
CID 9800285
Caspase-3/7 Inhibitor I
CID 9840223
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
1-[2-(phenylsulfonyl)ethyl]-1H-indole-2,3-dione
CID 8056910
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
Isatin sulfonamide, 16a
CID 42618287
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione (CID 25179143) is 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione is O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione?
The InChIKey is XMBJTDKKHXHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-14-5-3-13(4-6-14)12-22-17-8-7-15(11-16(17)18(23)19(22)24)27(25,26)21-9-1-2-10-21/h3-8,11H,1-2,9-10,12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione?
1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione has a molecular weight of 388.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylindole-2,3-dione is sourced from PubChem (CID 25179143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).