3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

C10H13F3N2O3S — CID 43162703

IUPAC3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(F)(F)F)c(N)c1
InChIInChI=1S/C10H13F3N2O3S/c1-15(2)19(16,17)7-3-4-9(8(14)5-7)18-6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyKWBKHJIEMAJCQE-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 43162703) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID43162703
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC Name3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC(F)(F)F)c(N)c1
InChIInChI=1S/C10H13F3N2O3S/c1-15(2)19(16,17)7-3-4-9(8(14)5-7)18-6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyKWBKHJIEMAJCQE-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-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
1-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24656677
5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
CID 43341127
4-amino-N-ethyl-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459204
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
CID 143925868

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 43162703) is 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is KWBKHJIEMAJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-15(2)19(16,17)7-3-4-9(8(14)5-7)18-6-10(11,12)13/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)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-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 43162703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).