4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide

C13H15N3O2S — CID 43744201

IUPAC4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-3-12(19(14,17)18)8-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H2,14,17,18)
InChIKeyVXZCBFMMAXOWBD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.65
Rot. Bonds4

About 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide

4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 43744201) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID43744201
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c1-10-2-3-12(19(14,17)18)8-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H2,14,17,18)
InChIKeyVXZCBFMMAXOWBD-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 81432174
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide
CID 66412336
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 103202996
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 43744201) is 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NCc1ccncc1.
What is the InChIKey of 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is VXZCBFMMAXOWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-2-3-12(19(14,17)18)8-13(10)16-9-11-4-6-15-7-5-11/h2-8,16H,9H2,1H3,(H2,14,17,18).
What are the key properties of 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide?
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43744201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).