4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid

C12H15ClFNO5S — CID 166292113

IUPAC4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CNS(=O)(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C12H15ClFNO5S/c13-9-1-2-10(20-9)21(18,19)15-7-12(14)5-3-8(4-6-12)11(16)17/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyZFZMEYBMJGCODN-UHFFFAOYSA-N
MW339.77 g/mol
LogP2.19
Rot. Bonds5

About 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid

4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid (PubChem CID 166292113) has the molecular formula C12H15ClFNO5S and a molecular weight of 339.77 g/mol. Its IUPAC name is 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
PubChem CID166292113
Molecular FormulaC12H15ClFNO5S
Molecular Weight339.77 g/mol
Exact Mass339.03
IUPAC Name4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CNS(=O)(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C12H15ClFNO5S/c13-9-1-2-10(20-9)21(18,19)15-7-12(14)5-3-8(4-6-12)11(16)17/h1-2,8,15H,3-7H2,(H,16,17)
InChIKeyZFZMEYBMJGCODN-UHFFFAOYSA-N
XLogP2.19
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2,3-dimethylphenyl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid
CID 166291909
4-fluoro-4-[[(2-fluoro-6-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 166292111
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287988
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114115798
4-fluoro-4-[[(4-pyridin-4-ylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 167784149
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
4-[(2,5-dibromoanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499273
5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
CID 103968565
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 115366259
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
3-[[(4-chlorophenyl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166273610

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid (CID 166292113) is 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid is O=C(O)C1CCC(F)(CNS(=O)(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid?
The InChIKey is ZFZMEYBMJGCODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO5S/c13-9-1-2-10(20-9)21(18,19)15-7-12(14)5-3-8(4-6-12)11(16)17/h1-2,8,15H,3-7H2,(H,16,17).
What are the key properties of 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid?
4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid has a molecular weight of 339.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorofuran-2-yl)sulfonylamino]methyl]-4-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 166292113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).