N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C26H17ClF3N5O2S — CID 137371140

IUPACN-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF3N5O2S/c1-14-24(35-38(36,37)25-7-2-16(28)11-20(25)30)10-15(13-32-14)21-5-6-22-26(34-21)23(8-9-31-22)33-17-3-4-19(29)18(27)12-17/h2-13,35H,1H3,(H,31,33)
InChIKeyVWLBRRUYRULZPG-UHFFFAOYSA-N
MW555.97 g/mol
LogP6.62
Rot. Bonds6

About N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 137371140) has the molecular formula C26H17ClF3N5O2S and a molecular weight of 555.97 g/mol. Its IUPAC name is N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID137371140
Molecular FormulaC26H17ClF3N5O2S
Molecular Weight555.97 g/mol
Exact Mass555.07
IUPAC NameN-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF3N5O2S/c1-14-24(35-38(36,37)25-7-2-16(28)11-20(25)30)10-15(13-32-14)21-5-6-22-26(34-21)23(8-9-31-22)33-17-3-4-19(29)18(27)12-17/h2-13,35H,1H3,(H,31,33)
InChIKeyVWLBRRUYRULZPG-UHFFFAOYSA-N
XLogP6.62
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.97
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66558473
N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370642
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137371034
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[2-chloro-5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-3-pyridinyl]methanesulfonamide
CID 137370797
N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471209
N-[2-chloro-5-[4-(oxan-4-ylamino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66558383
N-[2-chloro-5-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118117450
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 137371140) is N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is Cc1ncc(-c2ccc3nccc(Nc4ccc(F)c(Cl)c4)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is VWLBRRUYRULZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N5O2S/c1-14-24(35-38(36,37)25-7-2-16(28)11-20(25)30)10-15(13-32-14)21-5-6-22-26(34-21)23(8-9-31-22)33-17-3-4-19(29)18(27)12-17/h2-13,35H,1H3,(H,31,33).
What are the key properties of N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 555.97 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 137371140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).