N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

C24H19ClF4N6O4S — CID 170116997

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3OCc3cncnc3)n(CC(F)(F)F)c2)c1
InChIInChI=1S/C24H19ClF4N6O4S/c1-40(37,38)34-19-4-16(25)3-18(6-19)33-23(36)15-2-20(35(10-15)12-24(27,28)29)22-21(5-17(26)9-32-22)39-11-14-7-30-13-31-8-14/h2-10,13,34H,11-12H2,1H3,(H,33,36)
InChIKeyVDAHGGNBSIKMGI-UHFFFAOYSA-N
MW598.97 g/mol
LogP4.90
Rot. Bonds9

About N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (PubChem CID 170116997) has the molecular formula C24H19ClF4N6O4S and a molecular weight of 598.97 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
PubChem CID170116997
Molecular FormulaC24H19ClF4N6O4S
Molecular Weight598.97 g/mol
Exact Mass598.08
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
SMILESCS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3OCc3cncnc3)n(CC(F)(F)F)c2)c1
InChIInChI=1S/C24H19ClF4N6O4S/c1-40(37,38)34-19-4-16(25)3-18(6-19)33-23(36)15-2-20(35(10-15)12-24(27,28)29)22-21(5-17(26)9-32-22)39-11-14-7-30-13-31-8-14/h2-10,13,34H,11-12H2,1H3,(H,33,36)
InChIKeyVDAHGGNBSIKMGI-UHFFFAOYSA-N
XLogP4.90
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.97
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-[3-[(3,5-difluorophenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 176708484
N-[3-chloro-5-(methylsulfanylamino)phenyl]-5-[3-[(3,5-difluorophenyl)methoxy]-5-fluoro-2-pyridinyl]-1H-pyrrole-3-carboxamide
CID 176708553
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[3-fluoro-5-[(3S)-1-methylpyrrolidin-3-yl]oxy-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 169144477
5-butanoyl-N-[3-chloro-5-(methanesulfonamido)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 172540647
N-[3-chloro-5-(methylsulfanylamino)phenyl]-1-[3-[(3,5-difluorophenyl)methoxy]-5-(methoxymethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 176708472
N-[3-bromo-5-(methanesulfonamido)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169144760
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-[(2S)-2-phenylmethoxycyclobutyl]pyrazole-4-carboxamide
CID 169144731
N-[3-chloro-5-(ethylsulfonylamino)phenyl]-4-(3-chloro-5-fluoro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 169144570
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-(1-hydroxyethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 170836257
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-[3-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-methylthiophene-2-carboxamide
CID 169145005
N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(5-ethoxypyrimidin-2-yl)-5-methylthiophene-2-carboxamide
CID 169144478
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
CID 169144957

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide (CID 170116997) is N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is CS(=O)(=O)Nc1cc(Cl)cc(NC(=O)c2cc(-c3ncc(F)cc3OCc3cncnc3)n(CC(F)(F)F)c2)c1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
The InChIKey is VDAHGGNBSIKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF4N6O4S/c1-40(37,38)34-19-4-16(25)3-18(6-19)33-23(36)15-2-20(35(10-15)12-24(27,28)29)22-21(5-17(26)9-32-22)39-11-14-7-30-13-31-8-14/h2-10,13,34H,11-12H2,1H3,(H,33,36).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide has a molecular weight of 598.97 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-5-[5-fluoro-3-(pyrimidin-5-ylmethoxy)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 170116997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).