3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O3S — CID 60893077

IUPAC3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O3S/c1-15(6-10(11,12)13)19(16,17)7-3-4-9(18-2)8(14)5-7/h3-5H,6,14H2,1-2H3
InChIKeyZIZUHUATUIWMIN-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60893077) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60893077
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O3S/c1-15(6-10(11,12)13)19(16,17)7-3-4-9(18-2)8(14)5-7/h3-5H,6,14H2,1-2H3
InChIKeyZIZUHUATUIWMIN-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.46
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-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
methyl 2-[(3-amino-4-methoxyphenyl)sulfonyl-methylamino]acetate
CID 29277374
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
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-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-[(3-amino-4-methoxyphenyl)sulfonyl-(3-amino-3-oxopropyl)amino]propanamide
CID 163792004
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
3-amino-4-fluoro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 115421301

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60893077) is 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is ZIZUHUATUIWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-15(6-10(11,12)13)19(16,17)7-3-4-9(18-2)8(14)5-7/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.46, 4 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-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60893077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).