3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide

C28H26N2O3S — CID 2229952

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C28H26N2O3S/c1-19-10-9-15-25(21(19)3)30-34(32,33)27-18-23(17-16-20(27)2)28(31)29-26-14-8-7-13-24(26)22-11-5-4-6-12-22/h4-18,30H,1-3H3,(H,29,31)
InChIKeyONJGCFWPRMOPJQ-UHFFFAOYSA-N
MW470.59 g/mol
LogP6.33
Rot. Bonds6

About 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide (PubChem CID 2229952) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
PubChem CID2229952
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C28H26N2O3S/c1-19-10-9-15-25(21(19)3)30-34(32,33)27-18-23(17-16-20(27)2)28(31)29-26-14-8-7-13-24(26)22-11-5-4-6-12-22/h4-18,30H,1-3H3,(H,29,31)
InChIKeyONJGCFWPRMOPJQ-UHFFFAOYSA-N
XLogP6.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 2417657
4-tert-butyl-N-(2-sulfamoylphenyl)benzamide
CID 11573504
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
CID 11774008
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3610813
N-(4-sulfamoylphenyl)naphthalene-1-carboxamide
CID 788220

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide (CID 2229952) is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide?
The InChIKey is ONJGCFWPRMOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-19-10-9-15-25(21(19)3)30-34(32,33)27-18-23(17-16-20(27)2)28(31)29-26-14-8-7-13-24(26)22-11-5-4-6-12-22/h4-18,30H,1-3H3,(H,29,31).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide has a molecular weight of 470.59 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 2229952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).