4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide

C14H15N2O3S2- — CID 88740013

IUPAC4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N([O-])CCSc2ccccn2)cc1
InChIInChI=1S/C14H15N2O3S2/c1-12-5-7-13(8-6-12)21(18,19)16(17)10-11-20-14-4-2-3-9-15-14/h2-9H,10-11H2,1H3/q-1
InChIKeyUZFZKMNLETXKNR-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.67
Rot. Bonds6

About 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide

4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide (PubChem CID 88740013) has the molecular formula C14H15N2O3S2- and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide
PubChem CID88740013
Molecular FormulaC14H15N2O3S2-
Molecular Weight323.42 g/mol
Exact Mass323.05
IUPAC Name4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N([O-])CCSc2ccccn2)cc1
InChIInChI=1S/C14H15N2O3S2/c1-12-5-7-13(8-6-12)21(18,19)16(17)10-11-20-14-4-2-3-9-15-14/h2-9H,10-11H2,1H3/q-1
InChIKeyUZFZKMNLETXKNR-UHFFFAOYSA-N
XLogP2.67
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
CID 39529079
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 51343913
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2284779
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 51344639
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
2-(2-butylsulfonylethylsulfanyl)pyridine
CID 45490179
4-methyl-N-phenyl-N-(2-pyridin-2-ylethynyl)benzenesulfonamide
CID 11290994
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317
[(4-methylphenyl)sulfonyloxymethyl-[(pyridin-2-yldisulfanyl)methyl]phosphoryl]methyl 4-methylbenzenesulfonate
CID 122414667
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide (CID 88740013) is 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N([O-])CCSc2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide?
The InChIKey is UZFZKMNLETXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O3S2/c1-12-5-7-13(8-6-12)21(18,19)16(17)10-11-20-14-4-2-3-9-15-14/h2-9H,10-11H2,1H3/q-1.
What are the key properties of 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide?
4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-oxido-N-(2-pyridin-2-ylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 88740013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).