3-amino-N-(oxan-4-yl)benzenesulfonamide

C11H16N2O3S — CID 43609614

IUPAC3-amino-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-9-2-1-3-11(8-9)17(14,15)13-10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,12H2
InChIKeyNCCHFKSGJNSIGB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.73
Rot. Bonds3

About 3-amino-N-(oxan-4-yl)benzenesulfonamide

3-amino-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43609614) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43609614
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-amino-N-(oxan-4-yl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H16N2O3S/c12-9-2-1-3-11(8-9)17(14,15)13-10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,12H2
InChIKeyNCCHFKSGJNSIGB-UHFFFAOYSA-N
XLogP0.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
CID 65472151
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
4-amino-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 61300548
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
2-iodo-5-(oxan-4-ylsulfamoyl)benzoic acid
CID 103962332

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(oxan-4-yl)benzenesulfonamide (CID 43609614) is 3-amino-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(oxan-4-yl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-amino-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is NCCHFKSGJNSIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-9-2-1-3-11(8-9)17(14,15)13-10-4-6-16-7-5-10/h1-3,8,10,13H,4-7,12H2.
What are the key properties of 3-amino-N-(oxan-4-yl)benzenesulfonamide?
3-amino-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43609614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).