4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide

C19H20ClFN4O3S — CID 171599007

IUPAC4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3c2F)c(C)c1
InChIInChI=1S/C19H20ClFN4O3S/c1-10(2)25-17-12(8-14(20)19(25)26)9-23-18(16(17)21)24-15-6-5-13(7-11(15)3)29(27,28)22-4/h5-10,22H,1-4H3,(H,23,24)
InChIKeyWQCBRLGYWLTJTP-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.73
Rot. Bonds5

About 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide

4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide (PubChem CID 171599007) has the molecular formula C19H20ClFN4O3S and a molecular weight of 438.91 g/mol. Its IUPAC name is 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide
PubChem CID171599007
Molecular FormulaC19H20ClFN4O3S
Molecular Weight438.91 g/mol
Exact Mass438.09
IUPAC Name4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3c2F)c(C)c1
InChIInChI=1S/C19H20ClFN4O3S/c1-10(2)25-17-12(8-14(20)19(25)26)9-23-18(16(17)21)24-15-6-5-13(7-11(15)3)29(27,28)22-4/h5-10,22H,1-4H3,(H,23,24)
InChIKeyWQCBRLGYWLTJTP-UHFFFAOYSA-N
XLogP3.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide (CID 171599007) is 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ncc3cc(Cl)c(=O)n(C(C)C)c3c2F)c(C)c1.
What is the InChIKey of 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide?
The InChIKey is WQCBRLGYWLTJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O3S/c1-10(2)25-17-12(8-14(20)19(25)26)9-23-18(16(17)21)24-15-6-5-13(7-11(15)3)29(27,28)22-4/h5-10,22H,1-4H3,(H,23,24).
What are the key properties of 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide?
4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide has a molecular weight of 438.91 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-8-fluoro-2-oxo-1-propan-2-yl-1,6-naphthyridin-7-yl)amino]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 171599007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).