N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide

C23H24N2O3S — CID 3628664

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16(2)18-6-8-19(9-7-18)23(26)24-20-10-12-21(13-11-20)25-29(27,28)22-14-4-17(3)5-15-22/h4-16,25H,1-3H3,(H,24,26)
InChIKeyTUOOQHLBSLPSSQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.17
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide (PubChem CID 3628664) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
PubChem CID3628664
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16(2)18-6-8-19(9-7-18)23(26)24-20-10-12-21(13-11-20)25-29(27,28)22-14-4-17(3)5-15-22/h4-16,25H,1-3H3,(H,24,26)
InChIKeyTUOOQHLBSLPSSQ-UHFFFAOYSA-N
XLogP5.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide (CID 3628664) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide?
The InChIKey is TUOOQHLBSLPSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16(2)18-6-8-19(9-7-18)23(26)24-20-10-12-21(13-11-20)25-29(27,28)22-14-4-17(3)5-15-22/h4-16,25H,1-3H3,(H,24,26).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide has a molecular weight of 408.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 3628664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).