N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide

C22H20FN3O2S — CID 168792549

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
SMILES[H]N=[S@](=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)C1CC1
InChIInChI=1S/C22H20FN3O2S/c23-17-6-1-14(2-7-17)16-5-12-20(24)21(13-16)26-22(27)15-3-8-18(9-4-15)29(25,28)19-10-11-19/h1-9,12-13,19,25H,10-11,24H2,(H,26,27)/t29-/m0/s1
InChIKeyCIRZQQVOYXFHKF-LJAQVGFWSA-N
MW409.49 g/mol
LogP4.90
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide (PubChem CID 168792549) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
PubChem CID168792549
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
SMILES[H]N=[S@](=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)C1CC1
InChIInChI=1S/C22H20FN3O2S/c23-17-6-1-14(2-7-17)16-5-12-20(24)21(13-16)26-22(27)15-3-8-18(9-4-15)29(25,28)19-10-11-19/h1-9,12-13,19,25H,10-11,24H2,(H,26,27)/t29-/m0/s1
InChIKeyCIRZQQVOYXFHKF-LJAQVGFWSA-N
XLogP4.90
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(methylsulfonimidoyl)benzamide
CID 167993671
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-cyclopropylphenyl)sulfonimidoyl]benzamide
CID 170184405
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-cyclopropyl-3-pyridinyl)sulfonimidoyl]benzamide
CID 168792115
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-ethynyl-3-pyridinyl)sulfonimidoyl]benzamide
CID 170184415
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(6-cyano-3-pyridinyl)sulfonimidoyl]benzamide
CID 168792410
N-[2-amino-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 168792492
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzamide
CID 168792521
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(methylsulfonimidoyl)-1-benzothiophene-6-carboxamide
CID 168792222
N-[2-amino-5-(4-fluorophenyl)phenyl]-5-(methylsulfonimidoyl)-1-benzothiophene-2-carboxamide
CID 168792319
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-(1H-imidazol-5-ylsulfonimidoyl)pyridine-3-carboxamide
CID 168792781

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide (CID 168792549) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide is [H]N=[S@](=O)(c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1)C1CC1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide?
The InChIKey is CIRZQQVOYXFHKF-LJAQVGFWSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-17-6-1-14(2-7-17)16-5-12-20(24)21(13-16)26-22(27)15-3-8-18(9-4-15)29(25,28)19-10-11-19/h1-9,12-13,19,25H,10-11,24H2,(H,26,27)/t29-/m0/s1.
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide is sourced from PubChem (CID 168792549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).