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

C24H20FN5O2S — CID 168792415

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(C)nc1
InChIInChI=1S/C24H20FN5O2S/c1-15-28-13-21(14-29-15)33(27,32)20-9-4-17(5-10-20)24(31)30-23-12-18(6-11-22(23)26)16-2-7-19(25)8-3-16/h2-14,27H,26H2,1H3,(H,30,31)
InChIKeyRYLHGYFMEZGQFQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.89
Rot. Bonds5

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide (PubChem CID 168792415) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide
PubChem CID168792415
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(C)nc1
InChIInChI=1S/C24H20FN5O2S/c1-15-28-13-21(14-29-15)33(27,32)20-9-4-17(5-10-20)24(31)30-23-12-18(6-11-22(23)26)16-2-7-19(25)8-3-16/h2-14,27H,26H2,1H3,(H,30,31)
InChIKeyRYLHGYFMEZGQFQ-UHFFFAOYSA-N
XLogP4.89
TPSA121.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide (CID 168792415) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnc(C)nc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide?
The InChIKey is RYLHGYFMEZGQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c1-15-28-13-21(14-29-15)33(27,32)20-9-4-17(5-10-20)24(31)30-23-12-18(6-11-22(23)26)16-2-7-19(25)8-3-16/h2-14,27H,26H2,1H3,(H,30,31).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide has a molecular weight of 461.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methylpyrimidin-5-yl)sulfonimidoyl]benzamide is sourced from PubChem (CID 168792415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).