[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H21ClN2O3S — CID 2998650

IUPAC[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-14-13-15-5-2-3-6-18(15)23(14)20(24)19-7-4-12-22(19)27(25,26)17-10-8-16(21)9-11-17/h2-3,5-6,8-11,14,19H,4,7,12-13H2,1H3
InChIKeyDHMQQUVGZPYAOA-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.47
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 2998650) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID2998650
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3S/c1-14-13-15-5-2-3-6-18(15)23(14)20(24)19-7-4-12-22(19)27(25,26)17-10-8-16(21)9-11-17/h2-3,5-6,8-11,14,19H,4,7,12-13H2,1H3
InChIKeyDHMQQUVGZPYAOA-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 2998650) is [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is DHMQQUVGZPYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-14-13-15-5-2-3-6-18(15)23(14)20(24)19-7-4-12-22(19)27(25,26)17-10-8-16(21)9-11-17/h2-3,5-6,8-11,14,19H,4,7,12-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 404.92 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2998650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).