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

C14H17N3O2S — CID 43257804

IUPAC6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCc2ccccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-13(15)14(11(10)2)20(18,19)17-9-12-5-3-4-8-16-12/h3-8,17H,9,15H2,1-2H3
InChIKeyRWCZUPWTTGDZIT-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds4

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

6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 43257804) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID43257804
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NCc2ccccn2)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-6-7-13(15)14(11(10)2)20(18,19)17-9-12-5-3-4-8-16-12/h3-8,17H,9,15H2,1-2H3
InChIKeyRWCZUPWTTGDZIT-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

6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 43258406
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351
ethyl 3,5-dimethyl-4-(pyridin-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53005255
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 106033795
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 43257804) is 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NCc2ccccn2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is RWCZUPWTTGDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-6-7-13(15)14(11(10)2)20(18,19)17-9-12-5-3-4-8-16-12/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(pyridin-2-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 6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43257804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).