3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide

C13H15N3O3S — CID 43162717

IUPAC3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2cccnc2)c(N)c1
InChIInChI=1S/C13H15N3O3S/c1-16(2)20(17,18)11-5-6-13(12(14)8-11)19-10-4-3-7-15-9-10/h3-9H,14H2,1-2H3
InChIKeyPVUBEVHHGVGGHT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.71
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide

3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide (PubChem CID 43162717) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
PubChem CID43162717
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2cccnc2)c(N)c1
InChIInChI=1S/C13H15N3O3S/c1-16(2)20(17,18)11-5-6-13(12(14)8-11)19-10-4-3-7-15-9-10/h3-9H,14H2,1-2H3
InChIKeyPVUBEVHHGVGGHT-UHFFFAOYSA-N
XLogP1.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-dimethyl-4-pyridin-3-yloxybenzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide (CID 43162717) is 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Oc2cccnc2)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide?
The InChIKey is PVUBEVHHGVGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16(2)20(17,18)11-5-6-13(12(14)8-11)19-10-4-3-7-15-9-10/h3-9H,14H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide?
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide is sourced from PubChem (CID 43162717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).