4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide

C22H17ClN2O3S — CID 24615549

IUPAC4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c23-19-10-12-20(13-11-19)25-29(27,28)21-14-8-18(9-15-21)22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,16H2,(H,24,26)
InChIKeyVCYVMGFAFAPQNY-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.92
Rot. Bonds5

About 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide

4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 24615549) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID24615549
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
SMILESO=C(NCC#Cc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c23-19-10-12-20(13-11-19)25-29(27,28)21-14-8-18(9-15-21)22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,16H2,(H,24,26)
InChIKeyVCYVMGFAFAPQNY-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)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

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55509893
4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 39265859
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-(difluoromethylsulfonyl)-N-(3-phenylprop-2-ynyl)benzamide
CID 51326569
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-[4-(benzenesulfonamido)phenyl]-4-chloro-N-methylbenzamide
CID 47784348
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide (CID 24615549) is 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide is O=C(NCC#Cc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is VCYVMGFAFAPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c23-19-10-12-20(13-11-19)25-29(27,28)21-14-8-18(9-15-21)22(26)24-16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,25H,16H2,(H,24,26).
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide?
4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 24615549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).