7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one

C22H22N2O3S — CID 20946133

IUPAC7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc21)CCCC3=O
InChIInChI=1S/C22H22N2O3S/c1-2-14-12-16-18(23-17-7-5-9-20(25)22(16)17)13-21(14)28(26,27)24-11-10-15-6-3-4-8-19(15)24/h3-4,6,8,12-13,23H,2,5,7,9-11H2,1H3
InChIKeyOREIODNJWYSTQB-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.00
Rot. Bonds3

About 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one

7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 20946133) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID20946133
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc21)CCCC3=O
InChIInChI=1S/C22H22N2O3S/c1-2-14-12-16-18(23-17-7-5-9-20(25)22(16)17)13-21(14)28(26,27)24-11-10-15-6-3-4-8-19(15)24/h3-4,6,8,12-13,23H,2,5,7,9-11H2,1H3
InChIKeyOREIODNJWYSTQB-UHFFFAOYSA-N
XLogP4.00
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946148
N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946210
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946129
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946230
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole
CID 2956327
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one (CID 20946133) is 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one is CCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc21)CCCC3=O.
What is the InChIKey of 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is OREIODNJWYSTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-2-14-12-16-18(23-17-7-5-9-20(25)22(16)17)13-21(14)28(26,27)24-11-10-15-6-3-4-8-19(15)24/h3-4,6,8,12-13,23H,2,5,7,9-11H2,1H3.
What are the key properties of 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one?
7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 394.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 20946133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).