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

C30H26Cl2N4O4S — CID 68907053

IUPAC5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one
SMILESCOc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C30H26Cl2N4O4S/c1-40-28-5-3-2-4-25(28)30(35-18-16-34(17-19-35)23-12-14-33-15-13-23)26-20-22(32)8-11-27(26)36(29(30)37)41(38,39)24-9-6-21(31)7-10-24/h2-15,20H,16-19H2,1H3
InChIKeyYBNIXDLZRUDXGK-UHFFFAOYSA-N
MW609.54 g/mol
LogP5.20
Rot. Bonds6

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

5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one (PubChem CID 68907053) has the molecular formula C30H26Cl2N4O4S and a molecular weight of 609.54 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one
PubChem CID68907053
Molecular FormulaC30H26Cl2N4O4S
Molecular Weight609.54 g/mol
Exact Mass608.11
IUPAC Name5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one
SMILESCOc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C30H26Cl2N4O4S/c1-40-28-5-3-2-4-25(28)30(35-18-16-34(17-19-35)23-12-14-33-15-13-23)26-20-22(32)8-11-27(26)36(29(30)37)41(38,39)24-9-6-21(31)7-10-24/h2-15,20H,16-19H2,1H3
InChIKeyYBNIXDLZRUDXGK-UHFFFAOYSA-N
XLogP5.20
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one (CID 68907053) is 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one is COc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one?
The InChIKey is YBNIXDLZRUDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O4S/c1-40-28-5-3-2-4-25(28)30(35-18-16-34(17-19-35)23-12-14-33-15-13-23)26-20-22(32)8-11-27(26)36(29(30)37)41(38,39)24-9-6-21(31)7-10-24/h2-15,20H,16-19H2,1H3.
What are the key properties of 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one?
5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one has a molecular weight of 609.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one is sourced from PubChem (CID 68907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).