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

C13H15N3O2S — CID 30056935

IUPAC1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C13H15N3O2S/c14-13-3-1-12(2-4-13)10-19(17,18)16-9-11-5-7-15-8-6-11/h1-8,16H,9-10,14H2
InChIKeyBPFSBAULFOHIAX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.28
Rot. Bonds5

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

1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (PubChem CID 30056935) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
PubChem CID30056935
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C13H15N3O2S/c14-13-3-1-12(2-4-13)10-19(17,18)16-9-11-5-7-15-8-6-11/h1-8,16H,9-10,14H2
InChIKeyBPFSBAULFOHIAX-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 63247713
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 84593439
2-[(4-ethylphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299265
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 60914931
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
CID 71645651

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (CID 30056935) is 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The InChIKey is BPFSBAULFOHIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-13-3-1-12(2-4-13)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-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
1-(4-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-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 30056935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).