N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide

C21H20N2O3S2 — CID 78791501

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-3-13-20(14-4-15)28(25,26)23-18-9-7-17(8-10-18)22-21(24)16-5-11-19(27-2)12-6-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyYWTVVRWCRSKRCH-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.77
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide (PubChem CID 78791501) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
PubChem CID78791501
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-15-3-13-20(14-4-15)28(25,26)23-18-9-7-17(8-10-18)22-21(24)16-5-11-19(27-2)12-6-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyYWTVVRWCRSKRCH-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

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide (CID 78791501) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide?
The InChIKey is YWTVVRWCRSKRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-15-3-13-20(14-4-15)28(25,26)23-18-9-7-17(8-10-18)22-21(24)16-5-11-19(27-2)12-6-16/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-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)sulfonylamino]phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78791501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).