2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide

C13H15N3O2S2 — CID 62164043

IUPAC2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc(SC)c2)ccn1
InChIInChI=1S/C13H15N3O2S2/c1-14-13-9-12(6-7-15-13)20(17,18)16-10-4-3-5-11(8-10)19-2/h3-9,16H,1-2H3,(H,14,15)
InChIKeyZEMVSTBDUQQLKE-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.65
Rot. Bonds5

About 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide

2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide (PubChem CID 62164043) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
PubChem CID62164043
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2cccc(SC)c2)ccn1
InChIInChI=1S/C13H15N3O2S2/c1-14-13-9-12(6-7-15-13)20(17,18)16-10-4-3-5-11(8-10)19-2/h3-9,16H,1-2H3,(H,14,15)
InChIKeyZEMVSTBDUQQLKE-UHFFFAOYSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
2-(methylamino)-N-(3-methylsulfanylphenyl)pyrimidine-5-sulfonamide
CID 62163890
2-(methylamino)-N-(3-nitrophenyl)pyridine-4-sulfonamide
CID 62143197
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide (CID 62164043) is 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)Nc2cccc(SC)c2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide?
The InChIKey is ZEMVSTBDUQQLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-14-13-9-12(6-7-15-13)20(17,18)16-10-4-3-5-11(8-10)19-2/h3-9,16H,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylsulfanylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62164043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).