N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide

C21H20N2O3S2 — CID 126415790

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-7-9-17(10-8-15)23-28(25,26)18-13-11-16(12-14-18)22-21(24)19-5-3-4-6-20(19)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyWZDJZNZHXSXEPX-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.77
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide (PubChem CID 126415790) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
PubChem CID126415790
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-7-9-17(10-8-15)23-28(25,26)18-13-11-16(12-14-18)22-21(24)19-5-3-4-6-20(19)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyWZDJZNZHXSXEPX-UHFFFAOYSA-N
XLogP4.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide 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

2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 7068760
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide (CID 126415790) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide?
The InChIKey is WZDJZNZHXSXEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-15-7-9-17(10-8-15)23-28(25,26)18-13-11-16(12-14-18)22-21(24)19-5-3-4-6-20(19)27-2/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide has a molecular weight of 412.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 126415790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).