[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate

C30H29ClN6O6S — CID 67043615

IUPAC[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate
SMILESCOc1ncccc1C1(OC(=O)N2CCN(CCn3ccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C30H29ClN6O6S/c1-42-27-24(8-5-11-33-27)30(43-29(39)36-18-16-34(17-19-36)14-15-35-13-12-32-21-35)25-20-22(31)9-10-26(25)37(28(30)38)44(40,41)23-6-3-2-4-7-23/h2-13,20-21H,14-19H2,1H3
InChIKeyNSTONHMDXPZEMH-UHFFFAOYSA-N
MW637.12 g/mol
LogP3.37
Rot. Bonds8

About [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate

[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate (PubChem CID 67043615) has the molecular formula C30H29ClN6O6S and a molecular weight of 637.12 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate
PubChem CID67043615
Molecular FormulaC30H29ClN6O6S
Molecular Weight637.12 g/mol
Exact Mass636.16
IUPAC Name[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate
SMILESCOc1ncccc1C1(OC(=O)N2CCN(CCn3ccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C30H29ClN6O6S/c1-42-27-24(8-5-11-33-27)30(43-29(39)36-18-16-34(17-19-36)14-15-35-13-12-32-21-35)25-20-22(31)9-10-26(25)37(28(30)38)44(40,41)23-6-3-2-4-7-23/h2-13,20-21H,14-19H2,1H3
InChIKeyNSTONHMDXPZEMH-UHFFFAOYSA-N
XLogP3.37
TPSA127.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;[5-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 160764427
[5-chloro-3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 67163644
[5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(2-methoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 45107786
methyl 3-[[(2S,3R)-2,3-bis(4-chlorophenyl)-6-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-5-oxo-2,3-dihydroimidazo[1,2-a]pyridin-1-yl]sulfonyl]benzoate
CID 140530342
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90533550
[3-(1-benzofuran-7-yl)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate;dihydrochloride
CID 67043582
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one
CID 68907053
[5-cyano-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-2-oxoindol-3-yl] 4-(4-propylpiperazin-1-yl)piperidine-1-carboxylate
CID 67164114
(2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 67044282
[6-chloro-3-(2-ethoxy-3-pyridinyl)-5-fluoro-1-[2-methoxy-3-(4-methoxyphenyl)prop-2-enyl]sulfonyl-2-oxoindol-3-yl] 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylate
CID 174649220

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate?
The IUPAC name of [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate (CID 67043615) is [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate is COc1ncccc1C1(OC(=O)N2CCN(CCn3ccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate?
The InChIKey is NSTONHMDXPZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O6S/c1-42-27-24(8-5-11-33-27)30(43-29(39)36-18-16-34(17-19-36)14-15-35-13-12-32-21-35)25-20-22(31)9-10-26(25)37(28(30)38)44(40,41)23-6-3-2-4-7-23/h2-13,20-21H,14-19H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate?
[1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate has a molecular weight of 637.12 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-chloro-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl] 4-(2-imidazol-1-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 67043615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).