4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide

C16H22N2O5S — CID 70734205

IUPAC4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5S/c19-16(17-14-7-10-23-11-14)12-1-3-15(4-2-12)24(20,21)18-13-5-8-22-9-6-13/h1-4,13-14,18H,5-11H2,(H,17,19)
InChIKeyLCYPMRQOYSABGJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.66
Rot. Bonds5

About 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide

4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide (PubChem CID 70734205) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
PubChem CID70734205
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5S/c19-16(17-14-7-10-23-11-14)12-1-3-15(4-2-12)24(20,21)18-13-5-8-22-9-6-13/h1-4,13-14,18H,5-11H2,(H,17,19)
InChIKeyLCYPMRQOYSABGJ-UHFFFAOYSA-N
XLogP0.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
4-[[(3S)-oxolan-3-yl]sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 97115789
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 18278929
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide (CID 70734205) is 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide is O=C(NC1CCOC1)c1ccc(S(=O)(=O)NC2CCOCC2)cc1.
What is the InChIKey of 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide?
The InChIKey is LCYPMRQOYSABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c19-16(17-14-7-10-23-11-14)12-1-3-15(4-2-12)24(20,21)18-13-5-8-22-9-6-13/h1-4,13-14,18H,5-11H2,(H,17,19).
What are the key properties of 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide?
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 70734205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).