6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 63360421

IUPAC6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CCCOC2)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(16,17)15-11-4-3-7-18-8-11/h5-6,11,15H,3-4,7-8,14H2,1-2H3
InChIKeyBJOKTCCPZOIXJD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.34
Rot. Bonds3

About 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 63360421) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
PubChem CID63360421
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CCCOC2)c1C
InChIInChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(16,17)15-11-4-3-7-18-8-11/h5-6,11,15H,3-4,7-8,14H2,1-2H3
InChIKeyBJOKTCCPZOIXJD-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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

2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
CID 63359825
6-amino-N,2,3-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63727637
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180960
methyl 3-amino-4-(oxan-3-ylsulfamoyl)benzoate
CID 63360186
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
5-amino-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80717243
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide (CID 63360421) is 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC2CCCOC2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is BJOKTCCPZOIXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-5-6-12(14)13(10(9)2)19(16,17)15-11-4-3-7-18-8-11/h5-6,11,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63360421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).