N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide

C19H16F2N2O3S — CID 58229290

IUPACN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)C3CC3)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C19H16F2N2O3S/c1-11-8-19(15-9-12(20)2-6-17(15)22-11)26-13-3-7-18(16(21)10-13)23-27(24,25)14-4-5-14/h2-3,6-10,14,23H,4-5H2,1H3
InChIKeyNGUKBRSXBXYRGC-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.52
Rot. Bonds5

About N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide

N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide (PubChem CID 58229290) has the molecular formula C19H16F2N2O3S and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide
PubChem CID58229290
Molecular FormulaC19H16F2N2O3S
Molecular Weight390.41 g/mol
Exact Mass390.08
IUPAC NameN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)C3CC3)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C19H16F2N2O3S/c1-11-8-19(15-9-12(20)2-6-17(15)22-11)26-13-3-7-18(16(21)10-13)23-27(24,25)14-4-5-14/h2-3,6-10,14,23H,4-5H2,1H3
InChIKeyNGUKBRSXBXYRGC-UHFFFAOYSA-N
XLogP4.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide (CID 58229290) is N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)C3CC3)c(F)c2)c2cc(F)ccc2n1.
What is the InChIKey of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide?
The InChIKey is NGUKBRSXBXYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S/c1-11-8-19(15-9-12(20)2-6-17(15)22-11)26-13-3-7-18(16(21)10-13)23-27(24,25)14-4-5-14/h2-3,6-10,14,23H,4-5H2,1H3.
What are the key properties of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide?
N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide has a molecular weight of 390.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 58229290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).