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

C25H21FN4O2S — CID 168792735

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cccnc1C
InChIInChI=1S/C25H21FN4O2S/c1-16-24(3-2-14-29-16)33(28,32)21-11-6-18(7-12-21)25(31)30-23-15-19(8-13-22(23)27)17-4-9-20(26)10-5-17/h2-15,28H,27H2,1H3,(H,30,31)
InChIKeyMZFGGESBDNJRHB-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.50
Rot. Bonds5

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide (PubChem CID 168792735) has the molecular formula C25H21FN4O2S and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide
PubChem CID168792735
Molecular FormulaC25H21FN4O2S
Molecular Weight460.53 g/mol
Exact Mass460.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cccnc1C
InChIInChI=1S/C25H21FN4O2S/c1-16-24(3-2-14-29-16)33(28,32)21-11-6-18(7-12-21)25(31)30-23-15-19(8-13-22(23)27)17-4-9-20(26)10-5-17/h2-15,28H,27H2,1H3,(H,30,31)
InChIKeyMZFGGESBDNJRHB-UHFFFAOYSA-N
XLogP5.50
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methyl-3-pyridinyl)sulfonimidoyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide (CID 168792735) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cccnc1C.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide?
The InChIKey is MZFGGESBDNJRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S/c1-16-24(3-2-14-29-16)33(28,32)21-11-6-18(7-12-21)25(31)30-23-15-19(8-13-22(23)27)17-4-9-20(26)10-5-17/h2-15,28H,27H2,1H3,(H,30,31).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 5.50, 5 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-[(2-methyl-3-pyridinyl)sulfonimidoyl]benzamide is sourced from PubChem (CID 168792735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).