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

C14H17N3O2S — CID 62146869

IUPAC2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-11-5-3-6-12(9-11)10-17-20(18,19)13-7-4-8-16-14(13)15-2/h3-9,17H,10H2,1-2H3,(H,15,16)
InChIKeyVIBAORUQPPJLRX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.91
Rot. Bonds5

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

2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 62146869) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
PubChem CID62146869
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H17N3O2S/c1-11-5-3-6-12(9-11)10-17-20(18,19)13-7-4-8-16-14(13)15-2/h3-9,17H,10H2,1-2H3,(H,15,16)
InChIKeyVIBAORUQPPJLRX-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
2-(methylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 63247729
2-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 62156810
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62532935
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
N-(3-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144380
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106049652
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide (CID 62146869) is 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is VIBAORUQPPJLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-5-3-6-12(9-11)10-17-20(18,19)13-7-4-8-16-14(13)15-2/h3-9,17H,10H2,1-2H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide?
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62146869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).