N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide

C19H15F2N3O3S — CID 141468045

IUPACN-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cnc1=O
InChIInChI=1S/C19H15F2N3O3S/c1-2-9-24-12-14(11-22-19(24)25)13-3-6-16(7-4-13)28(26,27)23-18-10-15(20)5-8-17(18)21/h2-8,10-12,23H,1,9H2
InChIKeyRPTSOEHZLKATHO-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.18
Rot. Bonds6

About N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide

N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 141468045) has the molecular formula C19H15F2N3O3S and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
PubChem CID141468045
Molecular FormulaC19H15F2N3O3S
Molecular Weight403.41 g/mol
Exact Mass403.08
IUPAC NameN-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide
SMILESC=CCn1cc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cnc1=O
InChIInChI=1S/C19H15F2N3O3S/c1-2-9-24-12-14(11-22-19(24)25)13-3-6-16(7-4-13)28(26,27)23-18-10-15(20)5-8-17(18)21/h2-8,10-12,23H,1,9H2
InChIKeyRPTSOEHZLKATHO-UHFFFAOYSA-N
XLogP3.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-4-[2-(methoxymethyl)pyrimidin-5-yl]benzenesulfonamide
CID 141437586
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
CID 141437592
N-(2,5-difluorophenyl)-4-(4-ethyltriazol-1-yl)benzenesulfonamide
CID 141437589
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
2-chloro-N-(2,5-difluorophenyl)pyridine-4-sulfonamide
CID 54895626
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
N-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169372198
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 67646420

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide (CID 141468045) is N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide is C=CCn1cc(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cc2)cnc1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is RPTSOEHZLKATHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3S/c1-2-9-24-12-14(11-22-19(24)25)13-3-6-16(7-4-13)28(26,27)23-18-10-15(20)5-8-17(18)21/h2-8,10-12,23H,1,9H2.
What are the key properties of N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide?
N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 403.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(2-oxo-1-prop-2-enylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 141468045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).