N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide

C14H17N3O2S — CID 62994869

IUPACN-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccc(C)nc1
InChIInChI=1S/C14H17N3O2S/c1-11-7-8-12(9-16-11)10-17-13-5-3-4-6-14(13)20(18,19)15-2/h3-9,15,17H,10H2,1-2H3
InChIKeyFDMKTOHVXDCNAG-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide

N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 62994869) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
PubChem CID62994869
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccc(C)nc1
InChIInChI=1S/C14H17N3O2S/c1-11-7-8-12(9-16-11)10-17-13-5-3-4-6-14(13)20(18,19)15-2/h3-9,15,17H,10H2,1-2H3
InChIKeyFDMKTOHVXDCNAG-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-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
CID 55142270
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 62995922
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide (CID 62994869) is N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1ccc(C)nc1.
What is the InChIKey of N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is FDMKTOHVXDCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-7-8-12(9-16-11)10-17-13-5-3-4-6-14(13)20(18,19)15-2/h3-9,15,17H,10H2,1-2H3.
What are the key properties of N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide 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 N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62994869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).