N-(oxan-3-yl)benzenesulfonamide

C11H15NO3S — CID 63613851

IUPACN-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyKMISVMBZVTWGQS-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.14
Rot. Bonds3

About N-(oxan-3-yl)benzenesulfonamide

N-(oxan-3-yl)benzenesulfonamide (PubChem CID 63613851) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxan-3-yl)benzenesulfonamide
PubChem CID63613851
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(oxan-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOC1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyKMISVMBZVTWGQS-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 63361664
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
4-(3-aminopropoxy)-N-(oxan-3-yl)benzenesulfonamide
CID 106065190
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of N-(oxan-3-yl)benzenesulfonamide (CID 63613851) is N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(oxan-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCOC1)c1ccccc1.
What is the InChIKey of N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is KMISVMBZVTWGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of N-(oxan-3-yl)benzenesulfonamide?
N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63613851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).