N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide

C15H16FNO3S2 — CID 71781748

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccccc1F
InChIInChI=1S/C15H16FNO3S2/c16-12-4-1-2-5-13(12)22(19,20)17-10-15(18,11-7-8-11)14-6-3-9-21-14/h1-6,9,11,17-18H,7-8,10H2
InChIKeyGTYNKEYGEJHGSE-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.46
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide (PubChem CID 71781748) has the molecular formula C15H16FNO3S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide
PubChem CID71781748
Molecular FormulaC15H16FNO3S2
Molecular Weight341.43 g/mol
Exact Mass341.06
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccccc1F
InChIInChI=1S/C15H16FNO3S2/c16-12-4-1-2-5-13(12)22(19,20)17-10-15(18,11-7-8-11)14-6-3-9-21-14/h1-6,9,11,17-18H,7-8,10H2
InChIKeyGTYNKEYGEJHGSE-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.46
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)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide (CID 71781748) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccccc1F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide?
The InChIKey is GTYNKEYGEJHGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S2/c16-12-4-1-2-5-13(12)22(19,20)17-10-15(18,11-7-8-11)14-6-3-9-21-14/h1-6,9,11,17-18H,7-8,10H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-fluorobenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 2.46, 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)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 71781748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).