3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide

C13H22N2O3S — CID 43294579

IUPAC3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O3S/c1-4-5-6-9-15(2)19(16,17)11-7-8-13(18-3)12(14)10-11/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyUTKTZQGSTXVUNZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.09
Rot. Bonds7

About 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide

3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide (PubChem CID 43294579) 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-pentylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
PubChem CID43294579
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H22N2O3S/c1-4-5-6-9-15(2)19(16,17)11-7-8-13(18-3)12(14)10-11/h7-8,10H,4-6,9,14H2,1-3H3
InChIKeyUTKTZQGSTXVUNZ-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
methyl 2-[(3-amino-4-methoxyphenyl)sulfonyl-methylamino]acetate
CID 29277374
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide (CID 43294579) is 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide?
The InChIKey is UTKTZQGSTXVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-4-5-6-9-15(2)19(16,17)11-7-8-13(18-3)12(14)10-11/h7-8,10H,4-6,9,14H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.09, 7 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-pentylbenzenesulfonamide is sourced from PubChem (CID 43294579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).