5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide

C19H17ClF2N6O3S — CID 46947397

IUPAC5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(F)cc1F
InChIInChI=1S/C19H17ClF2N6O3S/c1-23-18(29)10-7-16(13(22)8-12(10)21)26-19-24-9-11(20)17(27-19)25-14-5-3-4-6-15(14)28-32(2,30)31/h3-9,28H,1-2H3,(H,23,29)(H2,24,25,26,27)
InChIKeyONJOOLFQXHQLHD-UHFFFAOYSA-N
MW482.90 g/mol
LogP3.63
Rot. Bonds7

About 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide

5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide (PubChem CID 46947397) has the molecular formula C19H17ClF2N6O3S and a molecular weight of 482.90 g/mol. Its IUPAC name is 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide
PubChem CID46947397
Molecular FormulaC19H17ClF2N6O3S
Molecular Weight482.90 g/mol
Exact Mass482.07
IUPAC Name5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(F)cc1F
InChIInChI=1S/C19H17ClF2N6O3S/c1-23-18(29)10-7-16(13(22)8-12(10)21)26-19-24-9-11(20)17(27-19)25-14-5-3-4-6-15(14)28-32(2,30)31/h3-9,28H,1-2H3,(H,23,29)(H2,24,25,26,27)
InChIKeyONJOOLFQXHQLHD-UHFFFAOYSA-N
XLogP3.63
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.90
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-4-fluoro-N-methylbenzamide
CID 46946401
3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-4-fluoro-N-propan-2-ylbenzamide
CID 46946396
N-[2-[[5-chloro-2-(2-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 46946007
N-[2-[[5-fluoro-2-[2-(methanesulfonamido)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 22060597
3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-N,N,4-trimethylbenzamide
CID 51347224
N-[2-[[5-chloro-2-(2-fluoro-5-propanoylanilino)pyrimidin-4-yl]amino]phenyl]ethanesulfonamide
CID 160967835
N-[2-[[5-chloro-2-[3-(2-hydroxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 58236344
2-[3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]phenoxy]acetic acid
CID 66884644
3-[[5-chloro-4-[3-fluoro-2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-N-ethyl-4-fluorobenzamide
CID 46947589
N-[2-[[2-(4-cyano-2-fluoroanilino)-5-fluoropyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 46947003
2-[3-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]phenoxy]acetic acid;hydrochloride
CID 66884643
N-[2-[[5-chloro-2-[2-methoxy-5-(3-methylbutanoyl)anilino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 159594881

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide (CID 46947397) is 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide is CNC(=O)c1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(F)cc1F.
What is the InChIKey of 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide?
The InChIKey is ONJOOLFQXHQLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N6O3S/c1-23-18(29)10-7-16(13(22)8-12(10)21)26-19-24-9-11(20)17(27-19)25-14-5-3-4-6-15(14)28-32(2,30)31/h3-9,28H,1-2H3,(H,23,29)(H2,24,25,26,27).
What are the key properties of 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide?
5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide has a molecular weight of 482.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 46947397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).