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

C19H22N2O4S — CID 18108762

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-7-9-16(10-8-14)21-26(23,24)18-6-2-4-15(12-18)19(22)20-13-17-5-3-11-25-17/h2,4,6-10,12,17,21H,3,5,11,13H2,1H3,(H,20,22)
InChIKeyJMUHHCFATXWAGE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.70
Rot. Bonds6

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

3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 18108762) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID18108762
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-7-9-16(10-8-14)21-26(23,24)18-6-2-4-15(12-18)19(22)20-13-17-5-3-11-25-17/h2,4,6-10,12,17,21H,3,5,11,13H2,1H3,(H,20,22)
InChIKeyJMUHHCFATXWAGE-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 18108762) is 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JMUHHCFATXWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-7-9-16(10-8-14)21-26(23,24)18-6-2-4-15(12-18)19(22)20-13-17-5-3-11-25-17/h2,4,6-10,12,17,21H,3,5,11,13H2,1H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 18108762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).