N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide

C27H25FN4O2S — CID 168792707

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cncc(C(C)C)c1
InChIInChI=1S/C27H25FN4O2S/c1-17(2)21-13-24(16-31-15-21)35(30,34)23-10-5-19(6-11-23)27(33)32-26-14-20(7-12-25(26)29)18-3-8-22(28)9-4-18/h3-17,30H,29H2,1-2H3,(H,32,33)
InChIKeyZXIIGXJDQPXBEK-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.31
Rot. Bonds6

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide (PubChem CID 168792707) has the molecular formula C27H25FN4O2S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide
PubChem CID168792707
Molecular FormulaC27H25FN4O2S
Molecular Weight488.59 g/mol
Exact Mass488.17
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cncc(C(C)C)c1
InChIInChI=1S/C27H25FN4O2S/c1-17(2)21-13-24(16-31-15-21)35(30,34)23-10-5-19(6-11-23)27(33)32-26-14-20(7-12-25(26)29)18-3-8-22(28)9-4-18/h3-17,30H,29H2,1-2H3,(H,32,33)
InChIKeyZXIIGXJDQPXBEK-UHFFFAOYSA-N
XLogP6.31
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)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-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide (CID 168792707) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cncc(C(C)C)c1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide?
The InChIKey is ZXIIGXJDQPXBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2S/c1-17(2)21-13-24(16-31-15-21)35(30,34)23-10-5-19(6-11-23)27(33)32-26-14-20(7-12-25(26)29)18-3-8-22(28)9-4-18/h3-17,30H,29H2,1-2H3,(H,32,33).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 6.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-propan-2-yl-3-pyridinyl)sulfonimidoyl]benzamide is sourced from PubChem (CID 168792707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).