N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide

C20H15ClFN3O4S — CID 24642831

IUPACN-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O4S/c21-15-7-9-17(10-8-15)25-30(28,29)18-6-2-4-14(12-18)20(27)24-23-19(26)13-3-1-5-16(22)11-13/h1-12,25H,(H,23,26)(H,24,27)
InChIKeyZBOCFRJQHCPTKX-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.35
Rot. Bonds5

About N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide

N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24642831) has the molecular formula C20H15ClFN3O4S and a molecular weight of 447.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24642831
Molecular FormulaC20H15ClFN3O4S
Molecular Weight447.88 g/mol
Exact Mass447.05
IUPAC NameN-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O4S/c21-15-7-9-17(10-8-15)25-30(28,29)18-6-2-4-14(12-18)20(27)24-23-19(26)13-3-1-5-16(22)11-13/h1-12,25H,(H,23,26)(H,24,27)
InChIKeyZBOCFRJQHCPTKX-UHFFFAOYSA-N
XLogP3.35
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide 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-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-(4-chlorophenyl)-3-[(cyclopropanecarbonylamino)carbamoyl]benzenesulfonamide
CID 24642864
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642847
N-(4-chlorophenyl)-3-[[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]carbamoyl]benzenesulfonamide
CID 25488156
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
3-[[1-(2-bromophenyl)ethenylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 2332257
3-[(1,3-benzothiazole-6-carbonylamino)carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 24642868
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-[(4-chlorophenyl)sulfamoyl]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2332623

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide (CID 24642831) is N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc(F)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is ZBOCFRJQHCPTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O4S/c21-15-7-9-17(10-8-15)25-30(28,29)18-6-2-4-14(12-18)20(27)24-23-19(26)13-3-1-5-16(22)11-13/h1-12,25H,(H,23,26)(H,24,27).
What are the key properties of N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide?
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 447.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24642831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).