5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one

C32H31ClN4O6S — CID 68905061

IUPAC5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C32H31ClN4O6S/c1-41-24-11-13-30(29(20-24)43-3)44(39,40)37-27-12-10-22(33)19-26(27)32(31(37)38,25-8-4-5-9-28(25)42-2)36-17-15-35(16-18-36)23-7-6-14-34-21-23/h4-14,19-21H,15-18H2,1-3H3
InChIKeyPFVLILTWOCGKRO-UHFFFAOYSA-N
MW635.14 g/mol
LogP4.56
Rot. Bonds8

About 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one

5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one (PubChem CID 68905061) has the molecular formula C32H31ClN4O6S and a molecular weight of 635.14 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one.

Molecular Properties

Compound Name5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one
PubChem CID68905061
Molecular FormulaC32H31ClN4O6S
Molecular Weight635.14 g/mol
Exact Mass634.17
IUPAC Name5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C32H31ClN4O6S/c1-41-24-11-13-30(29(20-24)43-3)44(39,40)37-27-12-10-22(33)19-26(27)32(31(37)38,25-8-4-5-9-28(25)42-2)36-17-15-35(16-18-36)23-7-6-14-34-21-23/h4-14,19-21H,15-18H2,1-3H3
InChIKeyPFVLILTWOCGKRO-UHFFFAOYSA-N
XLogP4.56
TPSA101.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.14
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one?
The IUPAC name of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one (CID 68905061) is 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one.
What is the SMILES notation for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one?
The canonical SMILES for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3CCN(c4cccnc4)CC3)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one?
The InChIKey is PFVLILTWOCGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN4O6S/c1-41-24-11-13-30(29(20-24)43-3)44(39,40)37-27-12-10-22(33)19-26(27)32(31(37)38,25-8-4-5-9-28(25)42-2)36-17-15-35(16-18-36)23-7-6-14-34-21-23/h4-14,19-21H,15-18H2,1-3H3.
What are the key properties of 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one?
5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one has a molecular weight of 635.14 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-3-ylpiperazin-1-yl)indol-2-one is sourced from PubChem (CID 68905061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).