N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

C14H14F3NO3S2 — CID 71787865

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)10-3-1-4-11(9-10)23(20,21)18-7-6-12(19)13-5-2-8-22-13/h1-5,8-9,12,18-19H,6-7H2
InChIKeyFLNOGNKVGDLRAT-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.17
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71787865) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71787865
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3S2/c15-14(16,17)10-3-1-4-11(9-10)23(20,21)18-7-6-12(19)13-5-2-8-22-13/h1-5,8-9,12,18-19H,6-7H2
InChIKeyFLNOGNKVGDLRAT-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide (CID 71787865) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FLNOGNKVGDLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c15-14(16,17)10-3-1-4-11(9-10)23(20,21)18-7-6-12(19)13-5-2-8-22-13/h1-5,8-9,12,18-19H,6-7H2.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71787865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).