2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide

C13H16N4O2S — CID 90030819

IUPAC2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccccc2N)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)13-9-5-8-12(15-13)16-20(18,19)11-7-4-3-6-10(11)14/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyZGKMAJRTOZHNOV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide

2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 90030819) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID90030819
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccccc2N)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)13-9-5-8-12(15-13)16-20(18,19)11-7-4-3-6-10(11)14/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyZGKMAJRTOZHNOV-UHFFFAOYSA-N
XLogP1.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.53
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 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide (CID 90030819) is 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide is CN(C)c1cccc(NS(=O)(=O)c2ccccc2N)n1.
What is the InChIKey of 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is ZGKMAJRTOZHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)13-9-5-8-12(15-13)16-20(18,19)11-7-4-3-6-10(11)14/h3-9H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide?
2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(dimethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90030819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).