N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide

C13H17NO4S — CID 62907557

IUPACN-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)14-12-4-2-10(3-5-12)13(15)11-6-8-18-9-7-11/h2-5,11,14H,6-9H2,1H3
InChIKeyAOVFMDBRVOXCRG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.67
Rot. Bonds4

About N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide

N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 62907557) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
PubChem CID62907557
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCOCC2)cc1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)14-12-4-2-10(3-5-12)13(15)11-6-8-18-9-7-11/h2-5,11,14H,6-9H2,1H3
InChIKeyAOVFMDBRVOXCRG-UHFFFAOYSA-N
XLogP1.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
CID 64867866
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
CID 113094770
(3-methylsulfonylphenyl)-(oxan-4-yl)methanone
CID 114971826
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
N-[4-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
CID 14130060
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide (CID 62907557) is N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is AOVFMDBRVOXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19(16,17)14-12-4-2-10(3-5-12)13(15)11-6-8-18-9-7-11/h2-5,11,14H,6-9H2,1H3.
What are the key properties of N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide?
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 62907557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).