(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C19H19FN2O3S — CID 17421426

IUPAC(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C19H19FN2O3S/c20-17-6-2-1-5-16(17)19(23)22-12-9-14-13-15(7-8-18(14)22)26(24,25)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2
InChIKeyURVFLDVVTAUVSX-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.81
Rot. Bonds3

About (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 17421426) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID17421426
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C19H19FN2O3S/c20-17-6-2-1-5-16(17)19(23)22-12-9-14-13-15(7-8-18(14)22)26(24,25)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2
InChIKeyURVFLDVVTAUVSX-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644446
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
(E)-3-(2-fluorophenyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 18206902
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
CID 15951254
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 17421426) is (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is URVFLDVVTAUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-17-6-2-1-5-16(17)19(23)22-12-9-14-13-15(7-8-18(14)22)26(24,25)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12H2.
What are the key properties of (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17421426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).