N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide

C24H20ClF2N5O4S2 — CID 53487989

IUPACN-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
SMILESCOc1c(NS(=O)(=O)c2c(F)cccc2F)cccc1-c1nc(N2CCOCC2)sc1-c1ccnc(Cl)n1
InChIInChI=1S/C24H20ClF2N5O4S2/c1-35-20-14(4-2-7-17(20)31-38(33,34)22-15(26)5-3-6-16(22)27)19-21(18-8-9-28-23(25)29-18)37-24(30-19)32-10-12-36-13-11-32/h2-9,31H,10-13H2,1H3
InChIKeyXZWIEWRSGSEYNI-UHFFFAOYSA-N
MW580.04 g/mol
LogP4.84
Rot. Bonds7

About N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide

N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide (PubChem CID 53487989) has the molecular formula C24H20ClF2N5O4S2 and a molecular weight of 580.04 g/mol. Its IUPAC name is N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
PubChem CID53487989
Molecular FormulaC24H20ClF2N5O4S2
Molecular Weight580.04 g/mol
Exact Mass579.06
IUPAC NameN-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
SMILESCOc1c(NS(=O)(=O)c2c(F)cccc2F)cccc1-c1nc(N2CCOCC2)sc1-c1ccnc(Cl)n1
InChIInChI=1S/C24H20ClF2N5O4S2/c1-35-20-14(4-2-7-17(20)31-38(33,34)22-15(26)5-3-6-16(22)27)19-21(18-8-9-28-23(25)29-18)37-24(30-19)32-10-12-36-13-11-32/h2-9,31H,10-13H2,1H3
InChIKeyXZWIEWRSGSEYNI-UHFFFAOYSA-N
XLogP4.84
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.04
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide 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

4-[2-(2-aminopyrimidin-4-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 71719389
4-[[4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145966577
4-[[4-(2-fluoro-6-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145973930
4-[[4-(2-ethoxy-4-fluorophenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145973951
4-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 145976565
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134134683
N-[4-(4-fluorophenyl)-5-[2-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 168867721
4-[2-(1-ethylsulfonylpiperidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 168867724
4-[2-(1-ethylsulfonylpiperidin-4-yl)-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 168867725
N-[4-(4-fluorophenyl)-5-[2-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylanilino]pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 168867741
N-[4-(4-fluorophenyl)-5-[2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 168867746
N-[4-(4-fluorophenyl)-5-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 168867748

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide (CID 53487989) is N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide is COc1c(NS(=O)(=O)c2c(F)cccc2F)cccc1-c1nc(N2CCOCC2)sc1-c1ccnc(Cl)n1.
What is the InChIKey of N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is XZWIEWRSGSEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O4S2/c1-35-20-14(4-2-7-17(20)31-38(33,34)22-15(26)5-3-6-16(22)27)19-21(18-8-9-28-23(25)29-18)37-24(30-19)32-10-12-36-13-11-32/h2-9,31H,10-13H2,1H3.
What are the key properties of N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide?
N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 580.04 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 53487989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).