5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H17N3O2S — CID 59436024

IUPAC5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-10-6-11(2)14(7-13(10)15)20(18,19)17-9-12-4-3-5-16-8-12/h3-8,17H,9,15H2,1-2H3
InChIKeyNXJKZODPUDLQBE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 59436024) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID59436024
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N
InChIInChI=1S/C14H17N3O2S/c1-10-6-11(2)14(7-13(10)15)20(18,19)17-9-12-4-3-5-16-8-12/h3-8,17H,9,15H2,1-2H3
InChIKeyNXJKZODPUDLQBE-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 59436024) is 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is NXJKZODPUDLQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-11(2)14(7-13(10)15)20(18,19)17-9-12-4-3-5-16-8-12/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59436024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).