4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide

C13H22N2O3S — CID 81438617

IUPAC4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(OC)c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-5-12(9(2)3)15-19(16,17)10-6-7-11(14)13(8-10)18-4/h6-9,12,15H,5,14H2,1-4H3
InChIKeyORARVWXVAUQAES-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.99
Rot. Bonds6

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

4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 81438617) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID81438617
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(N)c(OC)c1)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-5-12(9(2)3)15-19(16,17)10-6-7-11(14)13(8-10)18-4/h6-9,12,15H,5,14H2,1-4H3
InChIKeyORARVWXVAUQAES-UHFFFAOYSA-N
XLogP1.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.99
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

4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
methyl 2-[(4-amino-3-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 81440799
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 81440558
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 79255139
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 81440427
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 81438617) is 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(N)c(OC)c1)C(C)C.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is ORARVWXVAUQAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-12(9(2)3)15-19(16,17)10-6-7-11(14)13(8-10)18-4/h6-9,12,15H,5,14H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide?
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 81438617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).