4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide

C13H20N2O3S — CID 83027811

IUPAC4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(N)cc2)CCO1
InChIInChI=1S/C13H20N2O3S/c1-13(2)9-11(7-8-18-13)15-19(16,17)12-5-3-10(14)4-6-12/h3-6,11,15H,7-9,14H2,1-2H3
InChIKeyONBOKVSCEVFECR-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide

4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide (PubChem CID 83027811) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
PubChem CID83027811
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(N)cc2)CCO1
InChIInChI=1S/C13H20N2O3S/c1-13(2)9-11(7-8-18-13)15-19(16,17)12-5-3-10(14)4-6-12/h3-6,11,15H,7-9,14H2,1-2H3
InChIKeyONBOKVSCEVFECR-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.50
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

4-Amino-N-[(oxan-2-yl)methyl]benzene-1-sulfonamide
CID 220433
4-amino-N-(1-methoxypropan-2-yl)benzene-1-sulfonamide
CID 5019568
4-amino-N-(3-dodecoxypropyl)benzenesulfonamide
CID 234943
4-{[(dimethylamino)sulfonyl]amino}-N-{[1-(methoxymethyl)cyclobutyl]methyl}benzenesulfonamide
CID 131901749
4-amino-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CID 4713532
3-amino-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 43609620
2-amino-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 43609654
5-amino-2-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 43609676
4-amino-2,6-difluoro-N-(oxan-4-yl)benzenesulfonamide
CID 54888503
2-amino-5-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 54888721
4-amino-2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55225641
4-amino-2,6-difluoro-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 60985962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide (CID 83027811) is 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2ccc(N)cc2)CCO1.
What is the InChIKey of 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
The InChIKey is ONBOKVSCEVFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)9-11(7-8-18-13)15-19(16,17)12-5-3-10(14)4-6-12/h3-6,11,15H,7-9,14H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide?
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 83027811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).