6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

C15H19N3O2S — CID 79755229

IUPAC6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2ccccc2C)cn1
InChIInChI=1S/C15H19N3O2S/c1-12-5-3-4-6-13(12)9-10-18-21(19,20)14-7-8-15(16-2)17-11-14/h3-8,11,18H,9-10H2,1-2H3,(H,16,17)
InChIKeyQOVAGYDQFUXOSN-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.95
Rot. Bonds6

About 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 79755229) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID79755229
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCc2ccccc2C)cn1
InChIInChI=1S/C15H19N3O2S/c1-12-5-3-4-6-13(12)9-10-18-21(19,20)14-7-8-15(16-2)17-11-14/h3-8,11,18H,9-10H2,1-2H3,(H,16,17)
InChIKeyQOVAGYDQFUXOSN-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-(2,6-dimethylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62143160
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63245102
N-[4-(dimethylamino)butyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62158260
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (CID 79755229) is 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCCc2ccccc2C)cn1.
What is the InChIKey of 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is QOVAGYDQFUXOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-5-3-4-6-13(12)9-10-18-21(19,20)14-7-8-15(16-2)17-11-14/h3-8,11,18H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 79755229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).