1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide

C14H17N3O2S — CID 60914931

IUPAC1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NCCc2ccncc2)c1
InChIInChI=1S/C14H17N3O2S/c15-14-3-1-2-13(10-14)11-20(18,19)17-9-6-12-4-7-16-8-5-12/h1-5,7-8,10,17H,6,9,11,15H2
InChIKeyQAPBVTRWXQBIEM-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.33
Rot. Bonds6

About 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide

1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide (PubChem CID 60914931) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
PubChem CID60914931
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NCCc2ccncc2)c1
InChIInChI=1S/C14H17N3O2S/c15-14-3-1-2-13(10-14)11-20(18,19)17-9-6-12-4-7-16-8-5-12/h1-5,7-8,10,17H,6,9,11,15H2
InChIKeyQAPBVTRWXQBIEM-UHFFFAOYSA-N
XLogP1.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.33
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-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
1-(3-aminophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64517241
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide (CID 60914931) is 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)NCCc2ccncc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The InChIKey is QAPBVTRWXQBIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14-3-1-2-13(10-14)11-20(18,19)17-9-6-12-4-7-16-8-5-12/h1-5,7-8,10,17H,6,9,11,15H2.
What are the key properties of 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 60914931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).