2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C24H24FN3O3S — CID 25190921

IUPAC2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1N
InChIInChI=1S/C24H24FN3O3S/c1-27-24(29)22-15-18(16-4-8-19(25)9-5-16)14-21(23(22)26)17-6-10-20(11-7-17)32(30,31)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,26H2,1H3,(H,27,29)
InChIKeyUZFISAOOMRYRDS-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.89
Rot. Bonds5

About 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 25190921) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID25190921
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1N
InChIInChI=1S/C24H24FN3O3S/c1-27-24(29)22-15-18(16-4-8-19(25)9-5-16)14-21(23(22)26)17-6-10-20(11-7-17)32(30,31)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,26H2,1H3,(H,27,29)
InChIKeyUZFISAOOMRYRDS-UHFFFAOYSA-N
XLogP3.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-{4-[(2-aminoethyl)sulfamoyl]phenyl}-5-phenylbenzamide
CID 16047740
2-Amino-5-(4-fluorophenyl)-3-(4-sulfamoylphenyl)benzamide
CID 16047856
2-Amino-5-(4-fluorophenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide
CID 16048084
2-Azanyl-5-Phenyl-3-(4-Sulfamoylphenyl)benzamide
CID 16048085
Amino-substituted diarylbenzamide, 8s
CID 16047033
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
2-Amino-5-phenyl-3-(3-sulfamoylphenyl)benzamide
CID 16048544
2-Amino-5-phenyl-3-(4-{[2-(pyrrolidin-1-yl)ethyl]sulfamoyl}phenyl)benzamide
CID 16047743
2-Amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5-phenylbenzamide
CID 16047851
2-Amino-3-[4-(cyclopropylsulfamoyl)phenyl]-5-phenylbenzamide
CID 16047853
2-Amino-3-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-5-phenylbenzamide
CID 16047973
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 25190921) is 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1N.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is UZFISAOOMRYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-27-24(29)22-15-18(16-4-8-19(25)9-5-16)14-21(23(22)26)17-6-10-20(11-7-17)32(30,31)28-12-2-3-13-28/h4-11,14-15H,2-3,12-13,26H2,1H3,(H,27,29).
What are the key properties of 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 453.54 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-N-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25190921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).