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

C18H20N2O3S — CID 2349069

IUPACN-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-6-9-17(13(2)10-12)20-24(22,23)16-5-3-4-14(11-16)18(21)19-15-7-8-15/h3-6,9-11,15,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyLGUYYLNCDRCHIS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.00
Rot. Bonds5

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

N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 2349069) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID2349069
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-12-6-9-17(13(2)10-12)20-24(22,23)16-5-3-4-14(11-16)18(21)19-15-7-8-15/h3-6,9-11,15,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyLGUYYLNCDRCHIS-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 2349069) is N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C)c1.
What is the InChIKey of N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is LGUYYLNCDRCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-6-9-17(13(2)10-12)20-24(22,23)16-5-3-4-14(11-16)18(21)19-15-7-8-15/h3-6,9-11,15,20H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2349069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).