7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one

C24H26N2O3S — CID 20945775

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc2C1)CC(C)(C)CC3=O
InChIInChI=1S/C24H26N2O3S/c1-15-10-18-19(25-20-12-24(2,3)13-21(27)23(18)20)11-22(15)30(28,29)26-9-8-16-6-4-5-7-17(16)14-26/h4-7,10-11,25H,8-9,12-14H2,1-3H3
InChIKeyYZJVUKWHONOKHC-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.38
Rot. Bonds2

About 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one

7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one (PubChem CID 20945775) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
PubChem CID20945775
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc2C1)CC(C)(C)CC3=O
InChIInChI=1S/C24H26N2O3S/c1-15-10-18-19(25-20-12-24(2,3)13-21(27)23(18)20)11-22(15)30(28,29)26-9-8-16-6-4-5-7-17(16)14-26/h4-7,10-11,25H,8-9,12-14H2,1-3H3
InChIKeyYZJVUKWHONOKHC-UHFFFAOYSA-N
XLogP4.38
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one with MolForge

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Related Compounds

N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945827
N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20945784
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 898460
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923
2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 2059852
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945863
7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946133
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one (CID 20945775) is 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one is Cc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCc2ccccc2C1)CC(C)(C)CC3=O.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
The InChIKey is YZJVUKWHONOKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-15-10-18-19(25-20-12-24(2,3)13-21(27)23(18)20)11-22(15)30(28,29)26-9-8-16-6-4-5-7-17(16)14-26/h4-7,10-11,25H,8-9,12-14H2,1-3H3.
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one?
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one has a molecular weight of 422.55 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 20945775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).