2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide

C11H14Cl2N2O3S — CID 63359825

IUPAC2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H14Cl2N2O3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-8-2-1-3-18-6-8/h4-5,8,15H,1-3,6,14H2
InChIKeyHVBPGUNONYEFIM-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide (PubChem CID 63359825) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
PubChem CID63359825
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C11H14Cl2N2O3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-8-2-1-3-18-6-8/h4-5,8,15H,1-3,6,14H2
InChIKeyHVBPGUNONYEFIM-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.03
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-4,6-dichloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
CID 63921899
6-amino-2,3-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360421
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127039
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
methyl 3-amino-4-(oxan-3-ylsulfamoyl)benzoate
CID 63360186
N-(oxan-3-yl)benzenesulfonamide
CID 63613851

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide (CID 63359825) is 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCCOC1.
What is the InChIKey of 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide?
The InChIKey is HVBPGUNONYEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-8-2-1-3-18-6-8/h4-5,8,15H,1-3,6,14H2.
What are the key properties of 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide has a molecular weight of 325.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(oxan-3-yl)benzenesulfonamide is sourced from PubChem (CID 63359825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).