N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide

C16H26FNO3S2 — CID 23567059

IUPACN-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(F)C1CCC(O)(c2cccs2)CC1
InChIInChI=1S/C16H26FNO3S2/c1-12(2)23(20,21)18-11-15(3,17)13-6-8-16(19,9-7-13)14-5-4-10-22-14/h4-5,10,12-13,18-19H,6-9,11H2,1-3H3
InChIKeySZZLNXAJCWQHMD-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.18
Rot. Bonds6

About N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide

N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide (PubChem CID 23567059) has the molecular formula C16H26FNO3S2 and a molecular weight of 363.52 g/mol. Its IUPAC name is N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide
PubChem CID23567059
Molecular FormulaC16H26FNO3S2
Molecular Weight363.52 g/mol
Exact Mass363.13
IUPAC NameN-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(F)C1CCC(O)(c2cccs2)CC1
InChIInChI=1S/C16H26FNO3S2/c1-12(2)23(20,21)18-11-15(3,17)13-6-8-16(19,9-7-13)14-5-4-10-22-14/h4-5,10,12-13,18-19H,6-9,11H2,1-3H3
InChIKeySZZLNXAJCWQHMD-UHFFFAOYSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide (CID 23567059) is N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C)(F)C1CCC(O)(c2cccs2)CC1.
What is the InChIKey of N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide?
The InChIKey is SZZLNXAJCWQHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3S2/c1-12(2)23(20,21)18-11-15(3,17)13-6-8-16(19,9-7-13)14-5-4-10-22-14/h4-5,10,12-13,18-19H,6-9,11H2,1-3H3.
What are the key properties of N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide?
N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide has a molecular weight of 363.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(4-hydroxy-4-thiophen-2-ylcyclohexyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 23567059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).