N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide

C9H18FNO2S — CID 142137429

IUPACN-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyAKIGYQWNJGIPLP-IUCAKERBSA-N
MW223.31 g/mol
LogP1.59
Rot. Bonds3

About N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide

N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide (PubChem CID 142137429) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide
PubChem CID142137429
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC NameN-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C9H18FNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyAKIGYQWNJGIPLP-IUCAKERBSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide (CID 142137429) is N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1F.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide?
The InChIKey is AKIGYQWNJGIPLP-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h7-9,11H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide?
N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide has a molecular weight of 223.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 142137429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).