4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C19H22N2O4S — CID 4255564

IUPAC4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H22N2O4S/c1-21(16-6-3-2-4-7-16)26(23,24)18-11-9-15(10-12-18)19(22)20-14-17-8-5-13-25-17/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyPDENFFQEQSKPGU-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.42
Rot. Bonds6

About 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4255564) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4255564
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H22N2O4S/c1-21(16-6-3-2-4-7-16)26(23,24)18-11-9-15(10-12-18)19(22)20-14-17-8-5-13-25-17/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyPDENFFQEQSKPGU-UHFFFAOYSA-N
XLogP2.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 4255564) is 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PDENFFQEQSKPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21(16-6-3-2-4-7-16)26(23,24)18-11-9-15(10-12-18)19(22)20-14-17-8-5-13-25-17/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,20,22).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4255564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).