N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide

C14H15F2N3O3S — CID 59160578

IUPACN-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H15F2N3O3S/c1-9(2)23(20,21)19-13-12(16)7-17-14(18-13)22-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,18,19)
InChIKeyLKRJENBOOLCAOF-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.48
Rot. Bonds6

About N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide

N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide (PubChem CID 59160578) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
PubChem CID59160578
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H15F2N3O3S/c1-9(2)23(20,21)19-13-12(16)7-17-14(18-13)22-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,18,19)
InChIKeyLKRJENBOOLCAOF-UHFFFAOYSA-N
XLogP2.48
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.48
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-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide (CID 59160578) is N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide?
The InChIKey is LKRJENBOOLCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-9(2)23(20,21)19-13-12(16)7-17-14(18-13)22-8-10-3-5-11(15)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide?
N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.48, 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-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 59160578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).