N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C23H24N2O4S — CID 2687808

IUPACN-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1C
InChIInChI=1S/C23H24N2O4S/c1-15-8-7-10-19(17(15)3)24-23(26)18-13-12-16(2)22(14-18)30(27,28)25-20-9-5-6-11-21(20)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyISHMNLWSWZSPFU-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.67
Rot. Bonds6

About N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 2687808) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID2687808
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1C
InChIInChI=1S/C23H24N2O4S/c1-15-8-7-10-19(17(15)3)24-23(26)18-13-12-16(2)22(14-18)30(27,28)25-20-9-5-6-11-21(20)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyISHMNLWSWZSPFU-UHFFFAOYSA-N
XLogP4.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 2687808) is N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is ISHMNLWSWZSPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-8-7-10-19(17(15)3)24-23(26)18-13-12-16(2)22(14-18)30(27,28)25-20-9-5-6-11-21(20)29-4/h5-14,25H,1-4H3,(H,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 424.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 2687808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).