2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide

C14H17N3O2S2 — CID 79231178

IUPAC2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCSc2ccccc2N)ccn1
InChIInChI=1S/C14H17N3O2S2/c1-11-10-12(6-7-16-11)17-21(18,19)9-8-20-14-5-3-2-4-13(14)15/h2-7,10H,8-9,15H2,1H3,(H,16,17)
InChIKeyJYDCADKZCSRATM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide

2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide (PubChem CID 79231178) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide
PubChem CID79231178
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCSc2ccccc2N)ccn1
InChIInChI=1S/C14H17N3O2S2/c1-11-10-12(6-7-16-11)17-21(18,19)9-8-20-14-5-3-2-4-13(14)15/h2-7,10H,8-9,15H2,1H3,(H,16,17)
InChIKeyJYDCADKZCSRATM-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.51
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-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide (CID 79231178) is 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide is Cc1cc(NS(=O)(=O)CCSc2ccccc2N)ccn1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide?
The InChIKey is JYDCADKZCSRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-11-10-12(6-7-16-11)17-21(18,19)9-8-20-14-5-3-2-4-13(14)15/h2-7,10H,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide?
2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2-methyl-4-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 79231178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).