N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide

C20H15FN2O3S2 — CID 58229287

IUPACN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccsc3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C20H15FN2O3S2/c1-13-10-20(18-11-14(21)2-7-19(18)22-13)26-16-5-3-15(4-6-16)23-28(24,25)17-8-9-27-12-17/h2-12,23H,1H3
InChIKeyUUKADFVDRSIDCK-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.34
Rot. Bonds5

About N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide

N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide (PubChem CID 58229287) has the molecular formula C20H15FN2O3S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide
PubChem CID58229287
Molecular FormulaC20H15FN2O3S2
Molecular Weight414.48 g/mol
Exact Mass414.05
IUPAC NameN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccsc3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C20H15FN2O3S2/c1-13-10-20(18-11-14(21)2-7-19(18)22-13)26-16-5-3-15(4-6-16)23-28(24,25)17-8-9-27-12-17/h2-12,23H,1H3
InChIKeyUUKADFVDRSIDCK-UHFFFAOYSA-N
XLogP5.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide?
The IUPAC name of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide (CID 58229287) is N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3ccsc3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide?
The InChIKey is UUKADFVDRSIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S2/c1-13-10-20(18-11-14(21)2-7-19(18)22-13)26-16-5-3-15(4-6-16)23-28(24,25)17-8-9-27-12-17/h2-12,23H,1H3.
What are the key properties of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide?
N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide has a molecular weight of 414.48 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 58229287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).