4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide

C11H16N2O3S — CID 61114420

IUPAC4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCOC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-10-1-3-11(4-2-10)17(14,15)13-7-9-5-6-16-8-9/h1-4,9,13H,5-8,12H2
InChIKeyXTDWKARAVKCDIH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.58
Rot. Bonds4

About 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide

4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61114420) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61114420
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCOC2)cc1
InChIInChI=1S/C11H16N2O3S/c12-10-1-3-11(4-2-10)17(14,15)13-7-9-5-6-16-8-9/h1-4,9,13H,5-8,12H2
InChIKeyXTDWKARAVKCDIH-UHFFFAOYSA-N
XLogP0.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.58
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

N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
N-(oxolan-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47203478
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
CID 114958320

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61114420) is 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC2CCOC2)cc1.
What is the InChIKey of 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is XTDWKARAVKCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-10-1-3-11(4-2-10)17(14,15)13-7-9-5-6-16-8-9/h1-4,9,13H,5-8,12H2.
What are the key properties of 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide?
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61114420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).