2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide

C18H15F2N3O3S — CID 56724555

IUPAC2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H15F2N3O3S/c19-14-6-7-15(20)17(10-14)27(25,26)22-8-9-23-12-21-16(11-18(23)24)13-4-2-1-3-5-13/h1-7,10-12,22H,8-9H2
InChIKeyZZGNMWYGWPLRTH-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.17
Rot. Bonds6

About 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 56724555) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
PubChem CID56724555
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H15F2N3O3S/c19-14-6-7-15(20)17(10-14)27(25,26)22-8-9-23-12-21-16(11-18(23)24)13-4-2-1-3-5-13/h1-7,10-12,22H,8-9H2
InChIKeyZZGNMWYGWPLRTH-UHFFFAOYSA-N
XLogP2.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516462
2,3-dichloro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516519
2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516346
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 90516529
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]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 90516486
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 90516504
4-methoxy-2,5-dimethyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide
CID 90516337
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
3-fluoro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methoxybenzenesulfonamide
CID 90516475
4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516479

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide (CID 56724555) is 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide is O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZZGNMWYGWPLRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c19-14-6-7-15(20)17(10-14)27(25,26)22-8-9-23-12-21-16(11-18(23)24)13-4-2-1-3-5-13/h1-7,10-12,22H,8-9H2.
What are the key properties of 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56724555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).