N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide

C22H15FN4O3S — CID 60532006

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C22H15FN4O3S/c1-14-12-16(30-22-15(13-24)4-2-11-26-22)6-8-19(14)27-31(28,29)20-9-7-18(23)21-17(20)5-3-10-25-21/h2-12,27H,1H3
InChIKeyRBTAFLWQCRMISD-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.54
Rot. Bonds5

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide (PubChem CID 60532006) has the molecular formula C22H15FN4O3S and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
PubChem CID60532006
Molecular FormulaC22H15FN4O3S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C22H15FN4O3S/c1-14-12-16(30-22-15(13-24)4-2-11-26-22)6-8-19(14)27-31(28,29)20-9-7-18(23)21-17(20)5-3-10-25-21/h2-12,27H,1H3
InChIKeyRBTAFLWQCRMISD-UHFFFAOYSA-N
XLogP4.54
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 55896349
3-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzenesulfonamide
CID 60532048
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 60532096
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(2-fluorophenyl)propanamide
CID 55764183
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46428401
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide (CID 60532006) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide is Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide?
The InChIKey is RBTAFLWQCRMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3S/c1-14-12-16(30-22-15(13-24)4-2-11-26-22)6-8-19(14)27-31(28,29)20-9-7-18(23)21-17(20)5-3-10-25-21/h2-12,27H,1H3.
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide has a molecular weight of 434.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-8-fluoroquinoline-5-sulfonamide is sourced from PubChem (CID 60532006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).