1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide

C13H15N3O2S — CID 62022430

IUPAC1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c14-13-4-2-1-3-12(13)10-19(17,18)16-9-11-5-7-15-8-6-11/h1-8,16H,9-10,14H2
InChIKeyVLBODSIZKUGWSU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.28
Rot. Bonds5

About 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide

1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (PubChem CID 62022430) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
PubChem CID62022430
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O2S/c14-13-4-2-1-3-12(13)10-19(17,18)16-9-11-5-7-15-8-6-11/h1-8,16H,9-10,14H2
InChIKeyVLBODSIZKUGWSU-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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

1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (CID 62022430) is 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is Nc1ccccc1CS(=O)(=O)NCc1ccncc1.
What is the InChIKey of 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The InChIKey is VLBODSIZKUGWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-13-4-2-1-3-12(13)10-19(17,18)16-9-11-5-7-15-8-6-11/h1-8,16H,9-10,14H2.
What are the key properties of 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 62022430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).