2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

C12H19N3O3S — CID 61462084

IUPAC2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)C2)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-15-6-5-9(8-15)14-19(16,17)12-4-3-10(18-2)7-11(12)13/h3-4,7,9,14H,5-6,8,13H2,1-2H3
InChIKeyIWVNWMGFKSOOLJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 61462084) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID61462084
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)C2)c(N)c1
InChIInChI=1S/C12H19N3O3S/c1-15-6-5-9(8-15)14-19(16,17)12-4-3-10(18-2)7-11(12)13/h3-4,7,9,14H,5-6,8,13H2,1-2H3
InChIKeyIWVNWMGFKSOOLJ-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.26
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-(2-aminoethyl)-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052637
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
2-amino-5-bromo-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54950213
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
2-amino-4-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 64900205
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
3-(aminomethyl)-5-chloro-2-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052686
methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 103833514
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 61462084) is 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C)C2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is IWVNWMGFKSOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15-6-5-9(8-15)14-19(16,17)12-4-3-10(18-2)7-11(12)13/h3-4,7,9,14H,5-6,8,13H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61462084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).