2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H17N3O2S — CID 103171067

IUPAC2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1N
InChIInChI=1S/C14H17N3O2S/c1-10-5-6-11(2)14(13(10)15)20(18,19)17-9-12-4-3-7-16-8-12/h3-8,17H,9,15H2,1-2H3
InChIKeyOXEDAPRQOHJLMQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 103171067) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID103171067
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1N
InChIInChI=1S/C14H17N3O2S/c1-10-5-6-11(2)14(13(10)15)20(18,19)17-9-12-4-3-7-16-8-12/h3-8,17H,9,15H2,1-2H3
InChIKeyOXEDAPRQOHJLMQ-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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Related Compounds

3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945197
1,3,4-trimethyl-2,6-dioxo-N-(pyridin-3-ylmethyl)pyrimidine-5-sulfonamide
CID 7475220
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
ethyl 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)-1H-pyrrole-3-carboxylate
CID 20923289
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 103171067) is 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is OXEDAPRQOHJLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-5-6-11(2)14(13(10)15)20(18,19)17-9-12-4-3-7-16-8-12/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-amino-3,6-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 2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103171067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).