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

C20H14F2N2O3S2 — CID 58229340

IUPACN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cccs3)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C20H14F2N2O3S2/c1-12-9-19(15-10-13(21)4-6-17(15)23-12)27-14-5-7-18(16(22)11-14)24-29(25,26)20-3-2-8-28-20/h2-11,24H,1H3
InChIKeyOXWPLBYTLHGMLY-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.48
Rot. Bonds5

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

N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide (PubChem CID 58229340) has the molecular formula C20H14F2N2O3S2 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide
PubChem CID58229340
Molecular FormulaC20H14F2N2O3S2
Molecular Weight432.47 g/mol
Exact Mass432.04
IUPAC NameN-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cccs3)c(F)c2)c2cc(F)ccc2n1
InChIInChI=1S/C20H14F2N2O3S2/c1-12-9-19(15-10-13(21)4-6-17(15)23-12)27-14-5-7-18(16(22)11-14)24-29(25,26)20-3-2-8-28-20/h2-11,24H,1H3
InChIKeyOXWPLBYTLHGMLY-UHFFFAOYSA-N
XLogP5.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide
CID 2822022
4,6-Dimethoxy-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]quinoline
CID 171347648
4-Fluorothiophenoxyquinoline
CID 129886513
2-[[4-(Trifluoromethoxy)phenyl]sulfonylmethyl]quinoline
CID 176429940
2,3,4,5,6-pentafluoro-N-[4-(quinolin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 14127659
1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide
CID 15172034
6-Fluoro-2-methyl-4-[(4-methylsulfonylphenoxy)methyl]quinoline
CID 23017950
N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1-benzothiophene-2-sulfonamide
CID 58229256
2,4-difluoro-N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]benzenesulfonamide
CID 58229275
N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-3-sulfonamide
CID 58229287
N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]cyclopropanesulfonamide
CID 58229290
N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-1-benzothiophene-3-sulfonamide
CID 58229293

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide (CID 58229340) is N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3cccs3)c(F)c2)c2cc(F)ccc2n1.
What is the InChIKey of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
The InChIKey is OXWPLBYTLHGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3S2/c1-12-9-19(15-10-13(21)4-6-17(15)23-12)27-14-5-7-18(16(22)11-14)24-29(25,26)20-3-2-8-28-20/h2-11,24H,1H3.
What are the key properties of N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide?
N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide has a molecular weight of 432.47 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 58229340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).