1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

C20H23ClN2O4S2 — CID 32680566

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S2/c1-15-5-8-20(18(21)13-15)29(26,27)23-12-9-16-14-17(6-7-19(16)23)28(24,25)22-10-3-2-4-11-22/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyACGJTKUXARZTAS-UHFFFAOYSA-N
MW455.00 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (PubChem CID 32680566) has the molecular formula C20H23ClN2O4S2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
PubChem CID32680566
Molecular FormulaC20H23ClN2O4S2
Molecular Weight455.00 g/mol
Exact Mass454.08
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S2/c1-15-5-8-20(18(21)13-15)29(26,27)23-12-9-16-14-17(6-7-19(16)23)28(24,25)22-10-3-2-4-11-22/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyACGJTKUXARZTAS-UHFFFAOYSA-N
XLogP3.57
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 60586163
1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-(2-methoxy-5-methylphenyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097874
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
2-(4-methylphenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 18097873
1-(3-chloro-4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 78873415
1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
CID 56587286

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (CID 32680566) is 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is Cc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The InChIKey is ACGJTKUXARZTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S2/c1-15-5-8-20(18(21)13-15)29(26,27)23-12-9-16-14-17(6-7-19(16)23)28(24,25)22-10-3-2-4-11-22/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole has a molecular weight of 455.00 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 32680566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).