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

C20H24N2O4S — CID 18108765

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCO3)cc2)c1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-3-7-19(15(14)2)22-27(24,25)18-10-8-16(9-11-18)20(23)21-13-17-6-4-12-26-17/h3,5,7-11,17,22H,4,6,12-13H2,1-2H3,(H,21,23)
InChIKeyPNHKFJIAWUPQDA-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.01
Rot. Bonds6

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

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 18108765) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID18108765
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCO3)cc2)c1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-3-7-19(15(14)2)22-27(24,25)18-10-8-16(9-11-18)20(23)21-13-17-6-4-12-26-17/h3,5,7-11,17,22H,4,6,12-13H2,1-2H3,(H,21,23)
InChIKeyPNHKFJIAWUPQDA-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 18108765) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCO3)cc2)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PNHKFJIAWUPQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-3-7-19(15(14)2)22-27(24,25)18-10-8-16(9-11-18)20(23)21-13-17-6-4-12-26-17/h3,5,7-11,17,22H,4,6,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.01, 6 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-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 18108765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).