N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide

C27H24N2O3S — CID 1012890

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1
InChIInChI=1S/C27H24N2O3S/c1-19-8-17-26(20(2)18-19)29-33(31,32)25-15-13-24(14-16-25)28-27(30)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-18,29H,1-2H3,(H,28,30)
InChIKeyUNTGLGIWMSIELJ-UHFFFAOYSA-N
MW456.57 g/mol
LogP6.02
Rot. Bonds6

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide (PubChem CID 1012890) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide
PubChem CID1012890
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1
InChIInChI=1S/C27H24N2O3S/c1-19-8-17-26(20(2)18-19)29-33(31,32)25-15-13-24(14-16-25)28-27(30)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-18,29H,1-2H3,(H,28,30)
InChIKeyUNTGLGIWMSIELJ-UHFFFAOYSA-N
XLogP6.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
CID 2228302
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
4-tert-butyl-N-(2-sulfamoylphenyl)benzamide
CID 11573504
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
CID 11774008
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
N-(4-sulfamoylphenyl)naphthalene-1-carboxamide
CID 788220
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-[4-(acetylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 1221316

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide (CID 1012890) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide?
The InChIKey is UNTGLGIWMSIELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-19-8-17-26(20(2)18-19)29-33(31,32)25-15-13-24(14-16-25)28-27(30)23-11-9-22(10-12-23)21-6-4-3-5-7-21/h3-18,29H,1-2H3,(H,28,30).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide has a molecular weight of 456.57 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 1012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).