3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide

C13H22N2O3S — CID 3773327

IUPAC3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C13H22N2O3S/c1-5-15(6-2)19(16,17)11-7-8-13(12(14)9-11)18-10(3)4/h7-10H,5-6,14H2,1-4H3
InChIKeyACANRLKAGWEVIJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.09
Rot. Bonds6

About 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide

3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 3773327) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID3773327
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C13H22N2O3S/c1-5-15(6-2)19(16,17)11-7-8-13(12(14)9-11)18-10(3)4/h7-10H,5-6,14H2,1-4H3
InChIKeyACANRLKAGWEVIJ-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide (CID 3773327) is 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ACANRLKAGWEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(6-2)19(16,17)11-7-8-13(12(14)9-11)18-10(3)4/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide?
3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 3773327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).