5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine

C22H21Cl2F2N3O2S2 — CID 142980689

IUPAC5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
SMILESCN(C)CCSNc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C22H21Cl2F2N3O2S2/c1-29(2)9-10-32-28-21-12-17(19(24)13-27-21)22(18-11-15(25)5-8-20(18)26)33(30,31)16-6-3-14(23)4-7-16/h3-8,11-13,22H,9-10H2,1-2H3,(H,27,28)
InChIKeyYVGGFJLSIXYCPQ-UHFFFAOYSA-N
MW532.47 g/mol
LogP5.85
Rot. Bonds9

About 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine

5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine (PubChem CID 142980689) has the molecular formula C22H21Cl2F2N3O2S2 and a molecular weight of 532.47 g/mol. Its IUPAC name is 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
PubChem CID142980689
Molecular FormulaC22H21Cl2F2N3O2S2
Molecular Weight532.47 g/mol
Exact Mass531.04
IUPAC Name5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
SMILESCN(C)CCSNc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C22H21Cl2F2N3O2S2/c1-29(2)9-10-32-28-21-12-17(19(24)13-27-21)22(18-11-15(25)5-8-20(18)26)33(30,31)16-6-3-14(23)4-7-16/h3-8,11-13,22H,9-10H2,1-2H3,(H,27,28)
InChIKeyYVGGFJLSIXYCPQ-UHFFFAOYSA-N
XLogP5.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine 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

ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 58734245
N-[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-4-methylpiperidine-1-sulfonamide
CID 23114593
tert-butyl N-[2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-methylamino]ethyl]-N-methylcarbamate
CID 59750733
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
2,5-dichloro-4-[(4-chlorophenyl)sulfonyl-(2-fluoro-5-isocyanophenyl)methyl]pyridine
CID 58734254
N-[5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]methanesulfonamide
CID 23114712
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-methylsulfanylpyridine-3-carboxamide
CID 174500756
2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol
CID 142980725
ethyl 2-[[5-chloro-3-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 140509497
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]carbamate
CID 23114844

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine (CID 142980689) is 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine is CN(C)CCSNc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine?
The InChIKey is YVGGFJLSIXYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2F2N3O2S2/c1-29(2)9-10-32-28-21-12-17(19(24)13-27-21)22(18-11-15(25)5-8-20(18)26)33(30,31)16-6-3-14(23)4-7-16/h3-8,11-13,22H,9-10H2,1-2H3,(H,27,28).
What are the key properties of 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine?
5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine has a molecular weight of 532.47 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 142980689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).