1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole

C19H21ClN2O2S — CID 110316048

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C19H21ClN2O2S/c20-18-6-2-1-5-16(18)14-25(23,24)22-12-9-15-13-17(7-8-19(15)22)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12,14H2
InChIKeyXEWMMAUJANIGKT-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.83
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole

1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole (PubChem CID 110316048) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
PubChem CID110316048
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCc2cc(N3CCCC3)ccc21
InChIInChI=1S/C19H21ClN2O2S/c20-18-6-2-1-5-16(18)14-25(23,24)22-12-9-15-13-17(7-8-19(15)22)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12,14H2
InChIKeyXEWMMAUJANIGKT-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
CID 110714138
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316285
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
4-[1-(3-phenylpropylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316286
4-[(2-chlorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 110713072
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium
CID 20734109
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
CID 110361957
1-[(2-chlorophenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 99958010

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole (CID 110316048) is 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole is O=S(=O)(Cc1ccccc1Cl)N1CCc2cc(N3CCCC3)ccc21.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole?
The InChIKey is XEWMMAUJANIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-18-6-2-1-5-16(18)14-25(23,24)22-12-9-15-13-17(7-8-19(15)22)21-10-3-4-11-21/h1-2,5-8,13H,3-4,9-12,14H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole?
1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole has a molecular weight of 376.91 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-5-pyrrolidin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 110316048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).