N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

C18H16FN3O3S — CID 90516462

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16FN3O3S/c19-15-8-6-14(7-9-15)17-12-18(23)22(13-20-17)11-10-21-26(24,25)16-4-2-1-3-5-16/h1-9,12-13,21H,10-11H2
InChIKeyLDTDMFCFYJAQOV-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90516462) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
PubChem CID90516462
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16FN3O3S/c19-15-8-6-14(7-9-15)17-12-18(23)22(13-20-17)11-10-21-26(24,25)16-4-2-1-3-5-16/h1-9,12-13,21H,10-11H2
InChIKeyLDTDMFCFYJAQOV-UHFFFAOYSA-N
XLogP2.03
TPSA81.06 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 90516504
4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516479
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 90516486
2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 56724555
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 90516529
2,3-dichloro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516519
3-fluoro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methoxybenzenesulfonamide
CID 90516475
3,4-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516288
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]cyclopropanesulfonamide
CID 56764800
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90516325
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516346

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (CID 90516462) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is LDTDMFCFYJAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-15-8-6-14(7-9-15)17-12-18(23)22(13-20-17)11-10-21-26(24,25)16-4-2-1-3-5-16/h1-9,12-13,21H,10-11H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90516462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).