N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C16H16F3NO3S2 — CID 71781762

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-13(9-12)25(22,23)20-10-15(21,11-6-7-11)14-5-2-8-24-14/h1-5,8-9,11,20-21H,6-7,10H2
InChIKeyQQMGBILCLRZEJV-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.34
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71781762) has the molecular formula C16H16F3NO3S2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71781762
Molecular FormulaC16H16F3NO3S2
Molecular Weight391.44 g/mol
Exact Mass391.05
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-13(9-12)25(22,23)20-10-15(21,11-6-7-11)14-5-2-8-24-14/h1-5,8-9,11,20-21H,6-7,10H2
InChIKeyQQMGBILCLRZEJV-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 71781762) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1cccs1)C1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QQMGBILCLRZEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S2/c17-16(18,19)12-3-1-4-13(9-12)25(22,23)20-10-15(21,11-6-7-11)14-5-2-8-24-14/h1-5,8-9,11,20-21H,6-7,10H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 391.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71781762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).