2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide

C14H22N2O3S — CID 115993070

IUPAC2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide
SMILESCC1CC(C)CC(Oc2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H22N2O3S/c1-9-6-10(2)8-11(7-9)19-12-4-3-5-13(14(12)15)20(16,17)18/h3-5,9-11H,6-8,15H2,1-2H3,(H2,16,17,18)
InChIKeyYRQNBEKBCSPYAL-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide

2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide (PubChem CID 115993070) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide
PubChem CID115993070
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide
SMILESCC1CC(C)CC(Oc2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H22N2O3S/c1-9-6-10(2)8-11(7-9)19-12-4-3-5-13(14(12)15)20(16,17)18/h3-5,9-11H,6-8,15H2,1-2H3,(H2,16,17,18)
InChIKeyYRQNBEKBCSPYAL-UHFFFAOYSA-N
XLogP2.12
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide (CID 115993070) is 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide is CC1CC(C)CC(Oc2cccc(S(N)(=O)=O)c2N)C1.
What is the InChIKey of 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is YRQNBEKBCSPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-6-10(2)8-11(7-9)19-12-4-3-5-13(14(12)15)20(16,17)18/h3-5,9-11H,6-8,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide?
2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 115993070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).