3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide

C24H20FN3O4S — CID 55948629

IUPAC3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C24H20FN3O4S/c1-2-13-27-33(31,32)22-11-9-18(10-12-22)23(29)26-16-17-5-3-8-21(14-17)28-24(30)19-6-4-7-20(25)15-19/h1,3-12,14-15,27H,13,16H2,(H,26,29)(H,28,30)
InChIKeyOBZKOATUCCPVAD-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.92
Rot. Bonds8

About 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide

3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide (PubChem CID 55948629) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
PubChem CID55948629
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1
InChIInChI=1S/C24H20FN3O4S/c1-2-13-27-33(31,32)22-11-9-18(10-12-22)23(29)26-16-17-5-3-8-21(14-17)28-24(30)19-6-4-7-20(25)15-19/h1,3-12,14-15,27H,13,16H2,(H,26,29)(H,28,30)
InChIKeyOBZKOATUCCPVAD-UHFFFAOYSA-N
XLogP2.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide 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

N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-[2-(3-fluorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33319345
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 33023181
N-[3-(diethylaminomethyl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43073846
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-[2-(3-fluorophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27023537
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide (CID 55948629) is 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1.
What is the InChIKey of 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide?
The InChIKey is OBZKOATUCCPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-2-13-27-33(31,32)22-11-9-18(10-12-22)23(29)26-16-17-5-3-8-21(14-17)28-24(30)19-6-4-7-20(25)15-19/h1,3-12,14-15,27H,13,16H2,(H,26,29)(H,28,30).
What are the key properties of 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide?
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide has a molecular weight of 465.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 55948629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).