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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Related Compounds

2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]-1-phenylethanone
CID 53382890
2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]-1-phenylethanone
CID 53384069
(E)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylprop-2-en-1-one
CID 171348850
2-(Dimethylamino)-3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpropan-1-one
CID 3389325
N-ethyl-8-oxo-N-[(3S)-oxolan-3-yl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 164631423
2-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]benzaldehyde
CID 87300667
2-Fluoro-4-[2-(3-methylmorpholin-4-yl)sulfonylphenyl]benzaldehyde
CID 87300668
1-(4-Fluorophenyl)-2-(2-morpholin-4-ylsulfonylphenyl)ethanone
CID 157698507
3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(3S)-oxolan-3-yl]benzenesulfonamide
CID 160717743
1-[4-(2,6-Dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
CID 3832983
1-Acetyl-3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzene
CID 4444402
1-[3-(3-Methylmorpholin-4-yl)sulfonylphenyl]ethanone
CID 43429157

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).