2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C13H15N3O2S — CID 79240316

IUPAC2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H15N3O2S/c1-10-9-11(7-8-15-10)16-19(17,18)13-6-4-3-5-12(13)14-2/h3-9,14H,1-2H3,(H,15,16)
InChIKeyXNJRQFSLSUYYCB-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.23
Rot. Bonds4

About 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide

2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 79240316) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID79240316
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H15N3O2S/c1-10-9-11(7-8-15-10)16-19(17,18)13-6-4-3-5-12(13)14-2/h3-9,14H,1-2H3,(H,15,16)
InChIKeyXNJRQFSLSUYYCB-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
2-(methylamino)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 55044313
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(1H-imidazol-2-yl)-2-(methylamino)benzenesulfonamide
CID 55214521
2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758398
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
5-(ethylaminomethyl)-2-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071355

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 79240316) is 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1ccnc(C)c1.
What is the InChIKey of 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is XNJRQFSLSUYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-9-11(7-8-15-10)16-19(17,18)13-6-4-3-5-12(13)14-2/h3-9,14H,1-2H3,(H,15,16).
What are the key properties of 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79240316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).