N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide

C25H22Cl2N2O6S — CID 19076398

IUPACN-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide
SMILESCCC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21
InChIInChI=1S/C25H22Cl2N2O6S/c1-4-23(30)28-25(17-7-5-6-8-19(17)27)18-13-15(26)9-11-20(18)29(24(25)31)36(32,33)22-12-10-16(34-2)14-21(22)35-3/h5-14H,4H2,1-3H3,(H,28,30)
InChIKeyAFPHWKWGNRICPR-UHFFFAOYSA-N
MW549.43 g/mol
LogP4.52
Rot. Bonds7

About N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide

N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide (PubChem CID 19076398) has the molecular formula C25H22Cl2N2O6S and a molecular weight of 549.43 g/mol. Its IUPAC name is N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide
PubChem CID19076398
Molecular FormulaC25H22Cl2N2O6S
Molecular Weight549.43 g/mol
Exact Mass548.06
IUPAC NameN-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide
SMILESCCC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21
InChIInChI=1S/C25H22Cl2N2O6S/c1-4-23(30)28-25(17-7-5-6-8-19(17)27)18-13-15(26)9-11-20(18)29(24(25)31)36(32,33)22-12-10-16(34-2)14-21(22)35-3/h5-14H,4H2,1-3H3,(H,28,30)
InChIKeyAFPHWKWGNRICPR-UHFFFAOYSA-N
XLogP4.52
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide 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 N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide?
The IUPAC name of N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide (CID 19076398) is N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide.
What is the SMILES notation for N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide?
The canonical SMILES for N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide is CCC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(Cl)cc21.
What is the InChIKey of N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide?
The InChIKey is AFPHWKWGNRICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O6S/c1-4-23(30)28-25(17-7-5-6-8-19(17)27)18-13-15(26)9-11-20(18)29(24(25)31)36(32,33)22-12-10-16(34-2)14-21(22)35-3/h5-14H,4H2,1-3H3,(H,28,30).
What are the key properties of N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide?
N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide has a molecular weight of 549.43 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]propanamide is sourced from PubChem (CID 19076398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).