5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide

C21H22ClF2N5O2S — CID 129135889

IUPAC5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCNCCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ccccn2)cc1Cl
InChIInChI=1S/C21H22ClF2N5O2S/c1-25-9-10-29(2)19-11-14(23)6-7-17(19)27-18-13-16(24)20(12-15(18)22)32(30,31)28-21-5-3-4-8-26-21/h3-8,11-13,25,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyWKMYZURBBBOQKI-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.21
Rot. Bonds9

About 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide

5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 129135889) has the molecular formula C21H22ClF2N5O2S and a molecular weight of 481.96 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID129135889
Molecular FormulaC21H22ClF2N5O2S
Molecular Weight481.96 g/mol
Exact Mass481.12
IUPAC Name5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCNCCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ccccn2)cc1Cl
InChIInChI=1S/C21H22ClF2N5O2S/c1-25-9-10-29(2)19-11-14(23)6-7-17(19)27-18-13-16(24)20(12-15(18)22)32(30,31)28-21-5-3-4-8-26-21/h3-8,11-13,25,27H,9-10H2,1-2H3,(H,26,28)
InChIKeyWKMYZURBBBOQKI-UHFFFAOYSA-N
XLogP4.21
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide 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-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide (CID 129135889) is 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide is CNCCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ccccn2)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WKMYZURBBBOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N5O2S/c1-25-9-10-29(2)19-11-14(23)6-7-17(19)27-18-13-16(24)20(12-15(18)22)32(30,31)28-21-5-3-4-8-26-21/h3-8,11-13,25,27H,9-10H2,1-2H3,(H,26,28).
What are the key properties of 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide?
5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 481.96 g/mol, XLogP of 4.21, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 129135889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).