N-(oxan-4-ylsulfonyl)benzamide

C12H15NO4S — CID 47479884

IUPACN-(oxan-4-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C12H15NO4S/c14-12(10-4-2-1-3-5-10)13-18(15,16)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H,13,14)
InChIKeyBMDPJIJDAUGVIE-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.93
Rot. Bonds3

About N-(oxan-4-ylsulfonyl)benzamide

N-(oxan-4-ylsulfonyl)benzamide (PubChem CID 47479884) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(oxan-4-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(oxan-4-ylsulfonyl)benzamide
PubChem CID47479884
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN-(oxan-4-ylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C12H15NO4S/c14-12(10-4-2-1-3-5-10)13-18(15,16)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H,13,14)
InChIKeyBMDPJIJDAUGVIE-UHFFFAOYSA-N
XLogP0.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenacyloxane-4-sulfonamide
CID 64994557
4-bromo-N-(oxolan-3-ylsulfonyl)benzamide
CID 154780941
3-bromo-N-cyclopropylsulfonylbenzamide
CID 137332040
N-cyclobutylsulfonyl-4-(phenylcarbamoylamino)benzamide
CID 154864345
5-chloro-N-(oxolan-3-ylsulfonyl)thiophene-3-carboxamide
CID 136534838
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
CID 59993581
N'-(oxan-4-yl)-N'-propylbenzohydrazide
CID 140641753
N-[4-(trifluoromethyl)cyclohexyl]sulfonylpyridine-3-carboxamide
CID 154782226
N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)benzamide
CID 46514703
4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 135309984

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylsulfonyl)benzamide?
The IUPAC name of N-(oxan-4-ylsulfonyl)benzamide (CID 47479884) is N-(oxan-4-ylsulfonyl)benzamide.
What is the SMILES notation for N-(oxan-4-ylsulfonyl)benzamide?
The canonical SMILES for N-(oxan-4-ylsulfonyl)benzamide is O=C(NS(=O)(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-(oxan-4-ylsulfonyl)benzamide?
The InChIKey is BMDPJIJDAUGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(10-4-2-1-3-5-10)13-18(15,16)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of N-(oxan-4-ylsulfonyl)benzamide?
N-(oxan-4-ylsulfonyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylsulfonyl)benzamide is sourced from PubChem (CID 47479884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).