3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide

C14H17N3O2S — CID 43684711

IUPAC3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-7-13(20(15,18)19)8-14(11(10)2)17-9-12-5-3-4-6-16-12/h3-8,17H,9H2,1-2H3,(H2,15,18,19)
InChIKeyLXENUWRQDSJVCX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

About 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide

3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide (PubChem CID 43684711) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
PubChem CID43684711
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCc2ccccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-7-13(20(15,18)19)8-14(11(10)2)17-9-12-5-3-4-6-16-12/h3-8,17H,9H2,1-2H3,(H2,15,18,19)
InChIKeyLXENUWRQDSJVCX-UHFFFAOYSA-N
XLogP1.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684675
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
4-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747165
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
2-bromo-4-methyl-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104815004
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide (CID 43684711) is 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCc2ccccn2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide?
The InChIKey is LXENUWRQDSJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-13(20(15,18)19)8-14(11(10)2)17-9-12-5-3-4-6-16-12/h3-8,17H,9H2,1-2H3,(H2,15,18,19).
What are the key properties of 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide?
3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(pyridin-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43684711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).