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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Related Compounds

2-amino-N-cyclohexylethane-1-sulfonamide hydrochloride
CID 16188493
2-amino-N-cyclohexylethanesulfonamide
CID 3145398
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
2-Sulfanylethane-1-sulfonic acid--cyclohexanamine (1/1)
CID 23049873
N-cyclohexylcyclopropanesulfonamide
CID 49715026
3-Cyclo-hexylamino-ethylsulfonic acid
CID 57013476
N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 62492167
N-cyclohexyl-2-methoxyethanesulfonamide
CID 61694226
N-(4,4-difluorocyclohexyl)cyclopropanesulfonamide
CID 121021911
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
N-(2-fluoroethyl)cyclohexanesulfonamide
CID 87280346
N-(2-fluoroethyl)hexane-1-sulfonamide
CID 87299798

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).