3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C13H22N2O3S — CID 43569766

IUPAC3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)10(3)15(4)19(16,17)11-6-7-13(18-5)12(14)8-11/h6-10H,14H2,1-5H3
InChIKeyFLBPPXNOJRRUCO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.94
Rot. Bonds5

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

3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43569766) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID43569766
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1N
InChIInChI=1S/C13H22N2O3S/c1-9(2)10(3)15(4)19(16,17)11-6-7-13(18-5)12(14)8-11/h6-10H,14H2,1-5H3
InChIKeyFLBPPXNOJRRUCO-UHFFFAOYSA-N
XLogP1.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761
3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116253
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
4-amino-N-(1-hydroxypropan-2-yl)-3-methoxy-N-methylbenzenesulfonamide
CID 104551002
methyl 2-[(3-amino-4-methoxyphenyl)sulfonyl-methylamino]acetate
CID 29277374
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 43569766) is 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)C(C)C)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is FLBPPXNOJRRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9(2)10(3)15(4)19(16,17)11-6-7-13(18-5)12(14)8-11/h6-10H,14H2,1-5H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43569766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).