1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole

C20H23NO2S — CID 893382

IUPAC1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H23NO2S/c22-24(23,21-15-14-18-8-4-5-9-20(18)21)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
InChIKeyXMZSTNCQKGKKCX-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.49
Rot. Bonds3

About 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole

1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 893382) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID893382
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H23NO2S/c22-24(23,21-15-14-18-8-4-5-9-20(18)21)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
InChIKeyXMZSTNCQKGKKCX-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
CID 1258060
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole
CID 4806090
2-cyclopropyl-5-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-oxazole
CID 20959069

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole (CID 893382) is 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is XMZSTNCQKGKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-24(23,21-15-14-18-8-4-5-9-20(18)21)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2.
What are the key properties of 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole?
1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 341.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).