N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide

C24H20FN5O3S — CID 168792589

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(OC)nc1
InChIInChI=1S/C24H20FN5O3S/c1-33-24-28-13-20(14-29-24)34(27,32)19-9-4-16(5-10-19)23(31)30-22-12-17(6-11-21(22)26)15-2-7-18(25)8-3-15/h2-14,27H,26H2,1H3,(H,30,31)
InChIKeyRZBGWADYRHUIFN-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.59
Rot. Bonds6

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide (PubChem CID 168792589) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide
PubChem CID168792589
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(OC)nc1
InChIInChI=1S/C24H20FN5O3S/c1-33-24-28-13-20(14-29-24)34(27,32)19-9-4-16(5-10-19)23(31)30-22-12-17(6-11-21(22)26)15-2-7-18(25)8-3-15/h2-14,27H,26H2,1H3,(H,30,31)
InChIKeyRZBGWADYRHUIFN-UHFFFAOYSA-N
XLogP4.59
TPSA131.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide (CID 168792589) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(OC)nc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide?
The InChIKey is RZBGWADYRHUIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c1-33-24-28-13-20(14-29-24)34(27,32)19-9-4-16(5-10-19)23(31)30-22-12-17(6-11-21(22)26)15-2-7-18(25)8-3-15/h2-14,27H,26H2,1H3,(H,30,31).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide has a molecular weight of 477.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methoxypyrimidin-5-yl)sulfonimidoyl]benzamide is sourced from PubChem (CID 168792589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).