4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide

C13H16N4O2S — CID 82907842

IUPAC4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCc1ccncc1
InChIInChI=1S/C13H16N4O2S/c14-12-2-1-11(20(15,18)19)9-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,14H2,(H2,15,18,19)
InChIKeyZWRBEBJYTWMOQI-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.97
Rot. Bonds5

About 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide

4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide (PubChem CID 82907842) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
PubChem CID82907842
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCCc1ccncc1
InChIInChI=1S/C13H16N4O2S/c14-12-2-1-11(20(15,18)19)9-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,14H2,(H2,15,18,19)
InChIKeyZWRBEBJYTWMOQI-UHFFFAOYSA-N
XLogP0.97
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
3-[2-(2-amino-5-sulfamoylanilino)ethyl]-1,1-dimethylurea
CID 83116616
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide (CID 82907842) is 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCCc1ccncc1.
What is the InChIKey of 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide?
The InChIKey is ZWRBEBJYTWMOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-12-2-1-11(20(15,18)19)9-13(12)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,14H2,(H2,15,18,19).
What are the key properties of 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide?
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 82907842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).