N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide

C19H18FN3O3S — CID 59160638

IUPACN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)12-26-19-21-11-17(20)18(22-19)23-27(24,25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyXXVBFWGVPPGDRM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.61
Rot. Bonds6

About N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide

N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 59160638) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID59160638
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)12-26-19-21-11-17(20)18(22-19)23-27(24,25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22,23)
InChIKeyXXVBFWGVPPGDRM-UHFFFAOYSA-N
XLogP3.61
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide (CID 59160638) is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is XXVBFWGVPPGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-3-7-15(8-4-13)12-26-19-21-11-17(20)18(22-19)23-27(24,25)16-9-5-14(2)6-10-16/h3-11H,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide?
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 59160638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).