4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C20H21FN2O4S — CID 86949752

IUPAC4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCc2c(O)cccc21)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H21FN2O4S/c21-16-8-6-13(12-19(16)28(26,27)23-10-1-2-11-23)20(25)22-17-9-7-15-14(17)4-3-5-18(15)24/h3-6,8,12,17,24H,1-2,7,9-11H2,(H,22,25)
InChIKeyZIMHBYXNXCTPIV-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.73
Rot. Bonds4

About 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 86949752) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID86949752
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCc2c(O)cccc21)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H21FN2O4S/c21-16-8-6-13(12-19(16)28(26,27)23-10-1-2-11-23)20(25)22-17-9-7-15-14(17)4-3-5-18(15)24/h3-6,8,12,17,24H,1-2,7,9-11H2,(H,22,25)
InChIKeyZIMHBYXNXCTPIV-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
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N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
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4-fluoro-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 86949752) is 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCc2c(O)cccc21)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZIMHBYXNXCTPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c21-16-8-6-13(12-19(16)28(26,27)23-10-1-2-11-23)20(25)22-17-9-7-15-14(17)4-3-5-18(15)24/h3-6,8,12,17,24H,1-2,7,9-11H2,(H,22,25).
What are the key properties of 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 404.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 86949752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).