1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide

C12H13N3O2S — CID 43255711

IUPAC1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C12H13N3O2S/c13-11-5-3-4-10(8-11)9-18(16,17)15-12-6-1-2-7-14-12/h1-8H,9,13H2,(H,14,15)
InChIKeyVNFUGVAFLFHIPW-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.61
Rot. Bonds4

About 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide

1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide (PubChem CID 43255711) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
PubChem CID43255711
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C12H13N3O2S/c13-11-5-3-4-10(8-11)9-18(16,17)15-12-6-1-2-7-14-12/h1-8H,9,13H2,(H,14,15)
InChIKeyVNFUGVAFLFHIPW-UHFFFAOYSA-N
XLogP1.61
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.61
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-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
CID 43256541
1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
CID 79048786
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-bromo-N-pyridin-2-ylmethanesulfonamide
CID 83085049
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 60914931
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide (CID 43255711) is 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is VNFUGVAFLFHIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-11-5-3-4-10(8-11)9-18(16,17)15-12-6-1-2-7-14-12/h1-8H,9,13H2,(H,14,15).
What are the key properties of 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide?
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 43255711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).