3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide

C14H18N4O2S — CID 61450992

IUPAC3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
SMILESCCN(Cc1ccncc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N4O2S/c1-2-18(10-11-3-5-17-6-4-11)13-7-12(15)8-14(9-13)21(16,19)20/h3-9H,2,10,15H2,1H3,(H2,16,19,20)
InChIKeyJUHUFQATMPZTND-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide

3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide (PubChem CID 61450992) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
PubChem CID61450992
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
SMILESCCN(Cc1ccncc1)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H18N4O2S/c1-2-18(10-11-3-5-17-6-4-11)13-7-12(15)8-14(9-13)21(16,19)20/h3-9H,2,10,15H2,1H3,(H2,16,19,20)
InChIKeyJUHUFQATMPZTND-UHFFFAOYSA-N
XLogP1.34
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide (CID 61450992) is 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide is CCN(Cc1ccncc1)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The InChIKey is JUHUFQATMPZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-18(10-11-3-5-17-6-4-11)13-7-12(15)8-14(9-13)21(16,19)20/h3-9H,2,10,15H2,1H3,(H2,16,19,20).
What are the key properties of 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 61450992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).