4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine

C13H15N3O2S — CID 19605448

IUPAC4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-12(8-13(15-2)16-9)19(17,18)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDEBNPRMKRXATLA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.85
Rot. Bonds3

About 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine

4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine (PubChem CID 19605448) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine
PubChem CID19605448
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-12(8-13(15-2)16-9)19(17,18)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDEBNPRMKRXATLA-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.85
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 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine (CID 19605448) is 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine is CNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)n1.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine?
The InChIKey is DEBNPRMKRXATLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-12(8-13(15-2)16-9)19(17,18)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine?
4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine has a molecular weight of 277.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 19605448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).