4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H15F3N2O3S — CID 61140838

IUPAC4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-9(15)2-3-10(8)20(18,19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeyNXIZKPFEJIRADF-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.12
Rot. Bonds5

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

4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61140838) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61140838
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O3S/c1-8-6-9(15)2-3-10(8)20(18,19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3
InChIKeyNXIZKPFEJIRADF-UHFFFAOYSA-N
XLogP1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61140838) is 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is NXIZKPFEJIRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-8-6-9(15)2-3-10(8)20(18,19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7,15H2,1H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61140838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).