4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide

C24H27N3O3S — CID 27040602

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)c1C
InChIInChI=1S/C24H27N3O3S/c1-18-8-7-11-23(19(18)2)26-31(29,30)22-14-12-20(13-15-22)24(28)25-16-17-27(3)21-9-5-4-6-10-21/h4-15,26H,16-17H2,1-3H3,(H,25,28)
InChIKeyNIBHLFFPEZMWCJ-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.97
Rot. Bonds8

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 27040602) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID27040602
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)c1C
InChIInChI=1S/C24H27N3O3S/c1-18-8-7-11-23(19(18)2)26-31(29,30)22-14-12-20(13-15-22)24(28)25-16-17-27(3)21-9-5-4-6-10-21/h4-15,26H,16-17H2,1-3H3,(H,25,28)
InChIKeyNIBHLFFPEZMWCJ-UHFFFAOYSA-N
XLogP3.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
N-[2-(dimethylamino)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109064098
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide (CID 27040602) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is NIBHLFFPEZMWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18-8-7-11-23(19(18)2)26-31(29,30)22-14-12-20(13-15-22)24(28)25-16-17-27(3)21-9-5-4-6-10-21/h4-15,26H,16-17H2,1-3H3,(H,25,28).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 27040602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).