N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide

C17H12FN3O4S — CID 66973544

IUPACN-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(S(=O)(=O)c2ccccc2)cc1F)c1ccccc1
InChIInChI=1S/C17H12FN3O4S/c18-14-11-21(26(24,25)13-9-5-2-6-10-13)17(23)20-15(14)19-16(22)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23)
InChIKeyDSBMFPVXCSGATH-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide

N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide (PubChem CID 66973544) has the molecular formula C17H12FN3O4S and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide
PubChem CID66973544
Molecular FormulaC17H12FN3O4S
Molecular Weight373.37 g/mol
Exact Mass373.05
IUPAC NameN-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide
SMILESO=C(Nc1nc(=O)n(S(=O)(=O)c2ccccc2)cc1F)c1ccccc1
InChIInChI=1S/C17H12FN3O4S/c18-14-11-21(26(24,25)13-9-5-2-6-10-13)17(23)20-15(14)19-16(22)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23)
InChIKeyDSBMFPVXCSGATH-UHFFFAOYSA-N
XLogP1.87
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminosulfonyl)-2-fluoro-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]benzamide
CID 136218508
4-(4-Oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide
CID 155549634
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-sulfamoylbenzamide
CID 44010030
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 58138421
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 58138428
N-[6-(benzenesulfonyl)-5-fluoro-2-oxo-1H-pyrimidin-4-yl]benzamide
CID 66971839
4-chloro-N-[1-(4-chlorobenzenesulfonyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]benzamide
CID 66973638
2-fluoro-N-[6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480811
3-fluoro-N-[6-(4-methylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480949
N-[1-[(4-chlorophenyl)-methylidene-oxo-lambda6-sulfanyl]-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 88980218
N-[3-benzoyl-5-fluoro-1-(4-methylphenyl)sulfonyl-2-oxopyrimidin-4-ylidene]benzamide
CID 90268954
N-[1-(4-chlorophenyl)sulfanyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 123519902

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide (CID 66973544) is N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide is O=C(Nc1nc(=O)n(S(=O)(=O)c2ccccc2)cc1F)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is DSBMFPVXCSGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4S/c18-14-11-21(26(24,25)13-9-5-2-6-10-13)17(23)20-15(14)19-16(22)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23).
What are the key properties of N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide?
N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 373.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-5-fluoro-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 66973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).