2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide

C14H22N2O3S — CID 115992999

IUPAC2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide
SMILESCCC1CCCCC1Oc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-6-3-4-7-11(10)19-12-8-5-9-13(14(12)15)20(16,17)18/h5,8-11H,2-4,6-7,15H2,1H3,(H2,16,17,18)
InChIKeyOVPFOFHXQRRPOC-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide

2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide (PubChem CID 115992999) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide
PubChem CID115992999
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide
SMILESCCC1CCCCC1Oc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-6-3-4-7-11(10)19-12-8-5-9-13(14(12)15)20(16,17)18/h5,8-11H,2-4,6-7,15H2,1H3,(H2,16,17,18)
InChIKeyOVPFOFHXQRRPOC-UHFFFAOYSA-N
XLogP2.26
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.26
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-3-(3,5-dimethylcyclohexyl)oxybenzenesulfonamide
CID 115993070
2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile
CID 55225163
2-(bromomethyl)-1-chloro-3-(2-ethylcyclohexyl)oxybenzene
CID 113276992
6-(2-ethylcyclohexyl)oxypyridine-3-sulfonamide
CID 112572614
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
(2-ethylcyclohexyl) 2-amino-3-bromobenzoate
CID 63539694
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
2-(2-aminocyclohexyl)oxy-6-bromobenzamide
CID 114887759
5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63861766

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide (CID 115992999) is 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide is CCC1CCCCC1Oc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is OVPFOFHXQRRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-10-6-3-4-7-11(10)19-12-8-5-9-13(14(12)15)20(16,17)18/h5,8-11H,2-4,6-7,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide?
2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 115992999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).