3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide

C19H24N4O3S — CID 9204806

IUPAC3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NN3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N4O3S/c1-15-5-3-7-17(13-15)21-27(25,26)18-8-4-6-16(14-18)19(24)20-23-11-9-22(2)10-12-23/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,24)
InChIKeySOFYNQIJOVNXLR-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.69
Rot. Bonds5

About 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide

3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 9204806) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID9204806
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)NN3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N4O3S/c1-15-5-3-7-17(13-15)21-27(25,26)18-8-4-6-16(14-18)19(24)20-23-11-9-22(2)10-12-23/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,24)
InChIKeySOFYNQIJOVNXLR-UHFFFAOYSA-N
XLogP1.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-(azepan-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide chloride
CID 53351285
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204956
N-methyl-3-[(3-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56509866
N-(4-aminocyclohexyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 119474947
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide (CID 9204806) is 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NN3CCN(C)CC3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is SOFYNQIJOVNXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15-5-3-7-17(13-15)21-27(25,26)18-8-4-6-16(14-18)19(24)20-23-11-9-22(2)10-12-23/h3-8,13-14,21H,9-12H2,1-2H3,(H,20,24).
What are the key properties of 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide?
3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 9204806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).