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

C27H23FN4O2S — CID 168792115

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnccc1C1CC1
InChIInChI=1S/C27H23FN4O2S/c28-21-8-3-17(4-9-21)20-7-12-24(29)25(15-20)32-27(33)19-5-10-22(11-6-19)35(30,34)26-16-31-14-13-23(26)18-1-2-18/h3-16,18,30H,1-2,29H2,(H,32,33)
InChIKeyZIJCMRQAKGLKGF-UHFFFAOYSA-N
MW486.57 g/mol
LogP6.06
Rot. Bonds6

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide (PubChem CID 168792115) has the molecular formula C27H23FN4O2S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide
PubChem CID168792115
Molecular FormulaC27H23FN4O2S
Molecular Weight486.57 g/mol
Exact Mass486.15
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnccc1C1CC1
InChIInChI=1S/C27H23FN4O2S/c28-21-8-3-17(4-9-21)20-7-12-24(29)25(15-20)32-27(33)19-5-10-22(11-6-19)35(30,34)26-16-31-14-13-23(26)18-1-2-18/h3-16,18,30H,1-2,29H2,(H,32,33)
InChIKeyZIJCMRQAKGLKGF-UHFFFAOYSA-N
XLogP6.06
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-cyclopropylphenyl)sulfonimidoyl]benzamide
CID 170184405
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
CID 168792549
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-ethynyl-3-pyridinyl)sulfonimidoyl]benzamide
CID 170184415
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(6-cyano-3-pyridinyl)sulfonimidoyl]benzamide
CID 168792410
tert-butyl N-[4-(4-fluorophenyl)-2-[[4-[(4-methyl-3-pyridinyl)sulfonimidoyl]benzoyl]amino]phenyl]carbamate
CID 168792622
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzamide
CID 168792521
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-(1H-imidazol-5-ylsulfonimidoyl)pyridine-3-carboxamide
CID 168792781
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[2-amino-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 168792492
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-prop-1-en-2-yl-3-pyridinyl)sulfanyl]benzamide
CID 168913889

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide (CID 168792115) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide is [H]N=S(=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)c1cnccc1C1CC1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide?
The InChIKey is ZIJCMRQAKGLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2S/c28-21-8-3-17(4-9-21)20-7-12-24(29)25(15-20)32-27(33)19-5-10-22(11-6-19)35(30,34)26-16-31-14-13-23(26)18-1-2-18/h3-16,18,30H,1-2,29H2,(H,32,33).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 6.06, 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-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide is sourced from PubChem (CID 168792115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).