2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one

C24H28N4O3S — CID 20945797

IUPAC2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2ccccn2)CC1)CC(C)(C)CC3=O
InChIInChI=1S/C24H28N4O3S/c1-16-12-17-18(26-19-14-24(2,3)15-20(29)23(17)19)13-21(16)32(30,31)28-10-8-27(9-11-28)22-6-4-5-7-25-22/h4-7,12-13,26H,8-11,14-15H2,1-3H3
InChIKeyZJZSTGFKEAOYHD-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.54
Rot. Bonds3

About 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one

2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one (PubChem CID 20945797) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
PubChem CID20945797
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2ccccn2)CC1)CC(C)(C)CC3=O
InChIInChI=1S/C24H28N4O3S/c1-16-12-17-18(26-19-14-24(2,3)15-20(29)23(17)19)13-21(16)32(30,31)28-10-8-27(9-11-28)22-6-4-5-7-25-22/h4-7,12-13,26H,8-11,14-15H2,1-3H3
InChIKeyZJZSTGFKEAOYHD-UHFFFAOYSA-N
XLogP3.54
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
2,2,6-trimethyl-7-(3-phenylpyrrolidin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945841
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945827
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923
N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3851525
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20945784
7-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 942625

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one?
The IUPAC name of 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one (CID 20945797) is 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one?
The canonical SMILES for 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one is Cc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2ccccn2)CC1)CC(C)(C)CC3=O.
What is the InChIKey of 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one?
The InChIKey is ZJZSTGFKEAOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-16-12-17-18(26-19-14-24(2,3)15-20(29)23(17)19)13-21(16)32(30,31)28-10-8-27(9-11-28)22-6-4-5-7-25-22/h4-7,12-13,26H,8-11,14-15H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one?
2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one has a molecular weight of 452.58 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 20945797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).