N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide

C17H12FN3O4S — CID 66971839

IUPACN-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccccc2)c1F)c1ccccc1
InChIInChI=1S/C17H12FN3O4S/c18-13-14(19-15(22)11-7-3-1-4-8-11)20-17(23)21-16(13)26(24,25)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21,22,23)
InChIKeyUONHPTQYDMNMDD-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.99
Rot. Bonds4

About N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide

N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide (PubChem CID 66971839) has the molecular formula C17H12FN3O4S and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
PubChem CID66971839
Molecular FormulaC17H12FN3O4S
Molecular Weight373.37 g/mol
Exact Mass373.05
IUPAC NameN-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccccc2)c1F)c1ccccc1
InChIInChI=1S/C17H12FN3O4S/c18-13-14(19-15(22)11-7-3-1-4-8-11)20-17(23)21-16(13)26(24,25)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21,22,23)
InChIKeyUONHPTQYDMNMDD-UHFFFAOYSA-N
XLogP1.99
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzenesulfonyl)-2-(2-fluorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135475924
4-chloro-N-[6-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 66972080
N-(1-benzenesulfonyl-5-fluoro-2-oxo-1,2-dihydro-pyrimidin-4-yl)-benzamide
CID 66973544
6-[4-(Methylsulfonyl)phenyl]-5-phenyl-2-(trifluoromethyl)pyrimidin-4-ol
CID 135522327
N-(5-fluoro-2-oxo-1-phenylsulfanylpyrimidin-4-yl)benzamide
CID 144134934
6-(Benzenesulfonyl)-6-methyl-2-phenyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 135399715
6-(Benzenesulfonyl)-6-ethyl-2-phenyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 135508089
N-[(1Z)-1-amino-3-oxo-2-(phenylsulfonyl)but-1-en-1-yl]benzamide
CID 139030180
N-[2-(benzenesulfonyl)-3-hydroxybut-2-enimidoyl]benzamide
CID 154803760

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide (CID 66971839) is N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide is O=C(Nc1nc(=O)[nH]c(S(=O)(=O)c2ccccc2)c1F)c1ccccc1.
What is the InChIKey of N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
The InChIKey is UONHPTQYDMNMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4S/c18-13-14(19-15(22)11-7-3-1-4-8-11)20-17(23)21-16(13)26(24,25)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21,22,23).
What are the key properties of N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide?
N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide has a molecular weight of 373.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide is sourced from PubChem (CID 66971839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).