4-amino-3-(oxan-4-yloxy)benzenesulfonamide

C11H16N2O4S — CID 82898188

IUPAC4-amino-3-(oxan-4-yloxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1OC1CCOCC1
InChIInChI=1S/C11H16N2O4S/c12-10-2-1-9(18(13,14)15)7-11(10)17-8-3-5-16-6-4-8/h1-2,7-8H,3-6,12H2,(H2,13,14,15)
InChIKeySXJCXNXYEGQUMA-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.47
Rot. Bonds3

About 4-amino-3-(oxan-4-yloxy)benzenesulfonamide

4-amino-3-(oxan-4-yloxy)benzenesulfonamide (PubChem CID 82898188) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-amino-3-(oxan-4-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(oxan-4-yloxy)benzenesulfonamide
PubChem CID82898188
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-amino-3-(oxan-4-yloxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1OC1CCOCC1
InChIInChI=1S/C11H16N2O4S/c12-10-2-1-9(18(13,14)15)7-11(10)17-8-3-5-16-6-4-8/h1-2,7-8H,3-6,12H2,(H2,13,14,15)
InChIKeySXJCXNXYEGQUMA-UHFFFAOYSA-N
XLogP0.47
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462
3-bromo-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63937031
2-[(3S)-oxolan-3-yl]oxybenzene-1,4-diamine
CID 143034204
4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide
CID 67126570
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
oxan-4-yl 2-bromo-5-sulfamoylbenzoate
CID 65382092
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
oxan-4-yl 2-methyl-5-sulfamoylbenzoate
CID 65382296
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
5-iodo-2-(oxan-4-yloxy)aniline
CID 58221541

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(oxan-4-yloxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(oxan-4-yloxy)benzenesulfonamide (CID 82898188) is 4-amino-3-(oxan-4-yloxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(oxan-4-yloxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(oxan-4-yloxy)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1OC1CCOCC1.
What is the InChIKey of 4-amino-3-(oxan-4-yloxy)benzenesulfonamide?
The InChIKey is SXJCXNXYEGQUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-10-2-1-9(18(13,14)15)7-11(10)17-8-3-5-16-6-4-8/h1-2,7-8H,3-6,12H2,(H2,13,14,15).
What are the key properties of 4-amino-3-(oxan-4-yloxy)benzenesulfonamide?
4-amino-3-(oxan-4-yloxy)benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(oxan-4-yloxy)benzenesulfonamide is sourced from PubChem (CID 82898188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).