4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

C24H27N3O4S — CID 2417657

IUPAC4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C24H27N3O4S/c1-15-13-16(2)18(4)23(17(15)3)32(30,31)27-11-9-26(10-12-27)24(29)20-14-22(28)25-21-8-6-5-7-19(20)21/h5-8,13-14H,9-12H2,1-4H3,(H,25,28)
InChIKeyWKFNCJXVHWMQRU-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.91
Rot. Bonds3

About 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 2417657) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID2417657
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C24H27N3O4S/c1-15-13-16(2)18(4)23(17(15)3)32(30,31)27-11-9-26(10-12-27)24(29)20-14-22(28)25-21-8-6-5-7-19(20)21/h5-8,13-14H,9-12H2,1-4H3,(H,25,28)
InChIKeyWKFNCJXVHWMQRU-UHFFFAOYSA-N
XLogP2.91
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3610813
Ethyl 4-[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]-1-piperazinecarboxylate
CID 2133616
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
CID 3929877
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
4-Methyl-N-phenyl-3-(piperidine-1-sulfonyl)-benzamide
CID 1144102
N-(4-butylphenyl)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl]-4-methylBenzenesulfonamide
CID 5201899
N-{4-[1-(2-amino-acetyl)-piperidin-4-ylsulfamoyl]-naphthalen-1-yl}-2-methyl-benzamide
CID 10254576
4-(4-o-Tolylcarbamoyl-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 10391077

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one (CID 2417657) is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C.
What is the InChIKey of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is WKFNCJXVHWMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15-13-16(2)18(4)23(17(15)3)32(30,31)27-11-9-26(10-12-27)24(29)20-14-22(28)25-21-8-6-5-7-19(20)21/h5-8,13-14H,9-12H2,1-4H3,(H,25,28).
What are the key properties of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 453.56 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 2417657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).