N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide

C13H15N3O2S — CID 60864371

IUPACN-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
SMILESNc1ccccc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H15N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h1-7,9,16H,8,10,14H2
InChIKeyQMXFEJCFSUTHST-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.65
Rot. Bonds5

About N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 60864371) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID60864371
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
SMILESNc1ccccc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H15N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h1-7,9,16H,8,10,14H2
InChIKeyQMXFEJCFSUTHST-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.65
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-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
CID 25046544
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide (CID 60864371) is N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide is Nc1ccccc1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is QMXFEJCFSUTHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-12-6-1-2-7-13(12)16-19(17,18)10-8-11-5-3-4-9-15-11/h1-7,9,16H,8,10,14H2.
What are the key properties of N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 60864371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).