2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide

C12H19N3O3S — CID 79466596

IUPAC2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
SMILESCOC1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C12H19N3O3S/c1-18-10-4-6-15(7-5-10)9-2-3-12(11(13)8-9)19(14,16)17/h2-3,8,10H,4-7,13H2,1H3,(H2,14,16,17)
InChIKeyVWWUFAFUZZENHF-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide

2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide (PubChem CID 79466596) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
PubChem CID79466596
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
SMILESCOC1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1
InChIInChI=1S/C12H19N3O3S/c1-18-10-4-6-15(7-5-10)9-2-3-12(11(13)8-9)19(14,16)17/h2-3,8,10H,4-7,13H2,1H3,(H2,14,16,17)
InChIKeyVWWUFAFUZZENHF-UHFFFAOYSA-N
XLogP0.53
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[4-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide
CID 79466266
1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
CID 79466325
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
CID 79466454
2-amino-4-piperazin-1-ylbenzenesulfonamide
CID 79466445
2-amino-5-(4-methoxypiperidin-1-yl)benzonitrile
CID 113323838
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
2-amino-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213964
2-methylsulfonyl-5-piperazin-1-ylaniline
CID 86607660
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43372899

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide (CID 79466596) is 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide is COC1CCN(c2ccc(S(N)(=O)=O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide?
The InChIKey is VWWUFAFUZZENHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-10-4-6-15(7-5-10)9-2-3-12(11(13)8-9)19(14,16)17/h2-3,8,10H,4-7,13H2,1H3,(H2,14,16,17).
What are the key properties of 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide?
2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 79466596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).