4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide

C24H19Cl2N3O3S — CID 89203938

IUPAC4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide
SMILESC=C1C[C@H](c2ccc(Cl)c(Oc3c(Cl)cccc3C#N)c2)CN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H19Cl2N3O3S/c1-15-11-18(14-29(15)19-6-8-20(9-7-19)33(28,30)31)16-5-10-21(25)23(12-16)32-24-17(13-27)3-2-4-22(24)26/h2-10,12,18H,1,11,14H2,(H2,28,30,31)/t18-/m0/s1
InChIKeyAGXXBNBGVXGFDM-SFHVURJKSA-N
MW500.41 g/mol
LogP5.81
Rot. Bonds5

About 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide

4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide (PubChem CID 89203938) has the molecular formula C24H19Cl2N3O3S and a molecular weight of 500.41 g/mol. Its IUPAC name is 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide
PubChem CID89203938
Molecular FormulaC24H19Cl2N3O3S
Molecular Weight500.41 g/mol
Exact Mass499.05
IUPAC Name4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide
SMILESC=C1C[C@H](c2ccc(Cl)c(Oc3c(Cl)cccc3C#N)c2)CN1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H19Cl2N3O3S/c1-15-11-18(14-29(15)19-6-8-20(9-7-19)33(28,30)31)16-5-10-21(25)23(12-16)32-24-17(13-27)3-2-4-22(24)26/h2-10,12,18H,1,11,14H2,(H2,28,30,31)/t18-/m0/s1
InChIKeyAGXXBNBGVXGFDM-SFHVURJKSA-N
XLogP5.81
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide 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 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide (CID 89203938) is 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide is C=C1C[C@H](c2ccc(Cl)c(Oc3c(Cl)cccc3C#N)c2)CN1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is AGXXBNBGVXGFDM-SFHVURJKSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3S/c1-15-11-18(14-29(15)19-6-8-20(9-7-19)33(28,30)31)16-5-10-21(25)23(12-16)32-24-17(13-27)3-2-4-22(24)26/h2-10,12,18H,1,11,14H2,(H2,28,30,31)/t18-/m0/s1.
What are the key properties of 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide?
4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 500.41 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-[4-chloro-3-(2-chloro-6-cyanophenoxy)phenyl]-2-methylidenepyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 89203938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).