N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide

C19H21NO4S — CID 163920105

IUPACN-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)CCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4S/c21-19(15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)25(22,23)14-12-17-7-4-13-24-17/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,20,21)
InChIKeyQZRQQMRAWLYYSV-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.28
Rot. Bonds6

About N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide

N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide (PubChem CID 163920105) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide
PubChem CID163920105
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)CCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO4S/c21-19(15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)25(22,23)14-12-17-7-4-13-24-17/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,20,21)
InChIKeyQZRQQMRAWLYYSV-UHFFFAOYSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzamidophenyl)sulfonylpropanoic acid
CID 18368976
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
CID 146090869
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
3-[[4-(oxolan-2-ylmethylsulfonyl)phenyl]carbamoylamino]propanoic acid
CID 122079855
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
(2S)-2-methyl-N-[4-[[(2R)-oxolan-2-yl]methylsulfonyl]phenyl]butanamide
CID 95175449

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide (CID 163920105) is N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)CCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide?
The InChIKey is QZRQQMRAWLYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c21-19(15-5-2-1-3-6-15)20-16-8-10-18(11-9-16)25(22,23)14-12-17-7-4-13-24-17/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,20,21).
What are the key properties of N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide?
N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide has a molecular weight of 359.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide is sourced from PubChem (CID 163920105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).