5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride

C20H22Cl3F2N5O2S2 — CID 135325301

IUPAC5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride
SMILESCN(C)CCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1Cl.Cl
InChIInChI=1S/C20H21Cl2F2N5O2S2.ClH/c1-28(2)6-7-29(3)17-8-12(23)4-5-15(17)26-16-10-14(24)18(9-13(16)21)33(30,31)27-20-25-11-19(22)32-20;/h4-5,8-11,26H,6-7H2,1-3H3,(H,25,27);1H
InChIKeyJSYLINPNGBMNPA-UHFFFAOYSA-N
MW572.92 g/mol
LogP5.69
Rot. Bonds9

About 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride

5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride (PubChem CID 135325301) has the molecular formula C20H22Cl3F2N5O2S2 and a molecular weight of 572.92 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride
PubChem CID135325301
Molecular FormulaC20H22Cl3F2N5O2S2
Molecular Weight572.92 g/mol
Exact Mass571.02
IUPAC Name5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride
SMILESCN(C)CCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1Cl.Cl
InChIInChI=1S/C20H21Cl2F2N5O2S2.ClH/c1-28(2)6-7-29(3)17-8-12(23)4-5-15(17)26-16-10-14(24)18(9-13(16)21)33(30,31)27-20-25-11-19(22)32-20;/h4-5,8-11,26H,6-7H2,1-3H3,(H,25,27);1H
InChIKeyJSYLINPNGBMNPA-UHFFFAOYSA-N
XLogP5.69
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.92
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 129136261
5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-2-fluoro-4-[2-[methyl-[2-(methylamino)ethyl]amino]anilino]benzenesulfonamide;hydrochloride
CID 135325256
5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(1,3-oxazol-2-yl)benzenesulfonamide
CID 129136340
5-chloro-2-fluoro-4-[4-fluoro-2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 129135895
5-chloro-2-fluoro-N-(5-fluoropyrimidin-2-yl)-4-[4-methoxy-2-[methyl-[2-(methylamino)ethyl]amino]anilino]benzenesulfonamide;hydrochloride
CID 135390540
5-chloro-2-fluoro-4-[2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 129135856
4-[[(R)-amino-(2-fluorophenyl)methyl]amino]-5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 134602461
5-chloro-2-fluoro-4-[[6-fluoro-4-[methyl-[2-(4-sulfanylpiperazin-1-yl)ethyl]amino]-3-pyridinyl]amino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 177357359
5-chloro-2-fluoro-4-[2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;hydrochloride
CID 135325363
N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluoro-4-[4-fluoro-2-(1H-pyrazol-4-yl)phenoxy]benzenesulfonamide
CID 71719268
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
5-chloro-4-[[5,5-dimethyl-2-(methylamino)hexyl]amino]-2-fluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 130454862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride (CID 135325301) is 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride is CN(C)CCN(C)c1cc(F)ccc1Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1Cl.Cl.
What is the InChIKey of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is JSYLINPNGBMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2F2N5O2S2.ClH/c1-28(2)6-7-29(3)17-8-12(23)4-5-15(17)26-16-10-14(24)18(9-13(16)21)33(30,31)27-20-25-11-19(22)32-20;/h4-5,8-11,26H,6-7H2,1-3H3,(H,25,27);1H.
What are the key properties of 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride?
5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 572.92 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-1,3-thiazol-2-yl)-4-[2-[2-(dimethylamino)ethyl-methylamino]-4-fluoroanilino]-2-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 135325301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).