N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide

C22H17F3N4O3S — CID 10162479

IUPACN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17F3N4O3S/c1-33(31,32)28-18-12-16(22(23,24)25)20-17(30)13-19(26-14-8-4-2-5-9-14)29(21(20)27-18)15-10-6-3-7-11-15/h2-13,26H,1H3,(H,27,28)
InChIKeyGMBLELNUNQVFAY-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.52
Rot. Bonds5

About N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide

N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide (PubChem CID 10162479) has the molecular formula C22H17F3N4O3S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide
PubChem CID10162479
Molecular FormulaC22H17F3N4O3S
Molecular Weight474.46 g/mol
Exact Mass474.10
IUPAC NameN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17F3N4O3S/c1-33(31,32)28-18-12-16(22(23,24)25)20-17(30)13-19(26-14-8-4-2-5-9-14)29(21(20)27-18)15-10-6-3-7-11-15/h2-13,26H,1H3,(H,27,28)
InChIKeyGMBLELNUNQVFAY-UHFFFAOYSA-N
XLogP4.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide 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

3-Acyl-2,6-diaminopyridine deriv. 2o
CID 5330829
3-Acyl-2,6-diaminopyridine deriv. 2p
CID 5330830
3-Acyl-2,6-diaminopyridine deriv. 2r
CID 5330832
3-Acyl-2,6-diaminopyridine deriv. 2s
CID 5330833
3-Acyl-2,6-diaminopyridine deriv. 2t
CID 5330834
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2i
CID 5330823
2-Anilino-7-morpholin-4-yl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10162038
2-(3-Fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 9968025
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626
2-anilino-1,7-diphenyl-5-(trifluoromethyl)-1,8-naphthyridin-4(1H)-one
CID 10139234
2-Anilino-7-(2-methylpropylsulfonyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10141797

Frequently Asked Questions

What is the IUPAC name of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide?
The IUPAC name of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide (CID 10162479) is N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide?
The InChIKey is GMBLELNUNQVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3S/c1-33(31,32)28-18-12-16(22(23,24)25)20-17(30)13-19(26-14-8-4-2-5-9-14)29(21(20)27-18)15-10-6-3-7-11-15/h2-13,26H,1H3,(H,27,28).
What are the key properties of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide?
N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide has a molecular weight of 474.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methanesulfonamide is sourced from PubChem (CID 10162479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).