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

C18H16FN3O3S — CID 59160745

IUPACN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H16FN3O3S/c1-13-7-9-14(10-8-13)12-25-18-20-11-16(19)17(21-18)22-26(23,24)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyGIQNBYLYHYSRPD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.30
Rot. Bonds6

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

N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide (PubChem CID 59160745) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide
PubChem CID59160745
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H16FN3O3S/c1-13-7-9-14(10-8-13)12-25-18-20-11-16(19)17(21-18)22-26(23,24)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyGIQNBYLYHYSRPD-UHFFFAOYSA-N
XLogP3.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.30
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]benzenesulfonamide?
The IUPAC name of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide (CID 59160745) is N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide is Cc1ccc(COc2ncc(F)c(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is GIQNBYLYHYSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-13-7-9-14(10-8-13)12-25-18-20-11-16(19)17(21-18)22-26(23,24)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide?
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 3.30, 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]benzenesulfonamide is sourced from PubChem (CID 59160745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).