N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide

C24H21FN4O4S — CID 55945386

IUPACN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN4O4S/c25-19-7-3-5-17(11-19)14-28-34(32,33)20-8-4-6-18(12-20)13-26-24(31)16-29-22-10-2-1-9-21(22)23(30)15-27-29/h1-12,15,28H,13-14,16H2,(H,26,31)
InChIKeyAKBYFRCIMYQIDP-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.33
Rot. Bonds8

About N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55945386) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55945386
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C24H21FN4O4S/c25-19-7-3-5-17(11-19)14-28-34(32,33)20-8-4-6-18(12-20)13-26-24(31)16-29-22-10-2-1-9-21(22)23(30)15-27-29/h1-12,15,28H,13-14,16H2,(H,26,31)
InChIKeyAKBYFRCIMYQIDP-UHFFFAOYSA-N
XLogP2.33
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
CID 52702471
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide
CID 86887199
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55945386) is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is AKBYFRCIMYQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c25-19-7-3-5-17(11-19)14-28-34(32,33)20-8-4-6-18(12-20)13-26-24(31)16-29-22-10-2-1-9-21(22)23(30)15-27-29/h1-12,15,28H,13-14,16H2,(H,26,31).
What are the key properties of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 480.52 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55945386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).