N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide

C15H19N3O2S — CID 60864548

IUPACN-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)18-21(19,20)10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3
InChIKeyGGKSHVZMJFSTKN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.27
Rot. Bonds5

About N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide

N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 60864548) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID60864548
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)18-21(19,20)10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3
InChIKeyGGKSHVZMJFSTKN-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.27
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

N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 43258406
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide (CID 60864548) is N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide is Cc1ccc(N)c(C)c1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is GGKSHVZMJFSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)18-21(19,20)10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3.
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide?
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 60864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).