2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C18H19NO4S — CID 126806958

IUPAC2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-19(15-11-12-23-13-15)24(21,22)17-10-6-5-9-16(17)18(20)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyHCICKRVMTOBNGX-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.33
Rot. Bonds5

About 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 126806958) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID126806958
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-19(15-11-12-23-13-15)24(21,22)17-10-6-5-9-16(17)18(20)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3
InChIKeyHCICKRVMTOBNGX-UHFFFAOYSA-N
XLogP2.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 126806958) is 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CN(C1CCOC1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is HCICKRVMTOBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-19(15-11-12-23-13-15)24(21,22)17-10-6-5-9-16(17)18(20)14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3.
What are the key properties of 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 126806958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).