3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H12F3NO4S — CID 107481602

IUPAC3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(O)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)7-14(4-5-15)19(17,18)9-3-1-2-8(16)6-9/h1-3,6,15-16H,4-5,7H2
InChIKeyUNTIRYIQRMYPEI-UHFFFAOYSA-N
MW299.27 g/mol
LogP0.94
Rot. Bonds5

About 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 107481602) has the molecular formula C10H12F3NO4S and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID107481602
Molecular FormulaC10H12F3NO4S
Molecular Weight299.27 g/mol
Exact Mass299.04
IUPAC Name3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(O)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)7-14(4-5-15)19(17,18)9-3-1-2-8(16)6-9/h1-3,6,15-16H,4-5,7H2
InChIKeyUNTIRYIQRMYPEI-UHFFFAOYSA-N
XLogP0.94
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 107481602) is 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1cccc(O)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UNTIRYIQRMYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S/c11-10(12,13)7-14(4-5-15)19(17,18)9-3-1-2-8(16)6-9/h1-3,6,15-16H,4-5,7H2.
What are the key properties of 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 299.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107481602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).