4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C14H17F2NO4S — CID 132971400

IUPAC4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO4S/c15-11-2-1-3-12(16)13(11)22(20,21)17-8-9-4-6-10(7-5-9)14(18)19/h1-3,9-10,17H,4-8H2,(H,18,19)
InChIKeyKWQZSCICNIFEMU-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.13
Rot. Bonds5

About 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 132971400) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID132971400
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Name4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO4S/c15-11-2-1-3-12(16)13(11)22(20,21)17-8-9-4-6-10(7-5-9)14(18)19/h1-3,9-10,17H,4-8H2,(H,18,19)
InChIKeyKWQZSCICNIFEMU-UHFFFAOYSA-N
XLogP2.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126597
4-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809042
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
4-fluoro-4-[[(2-fluoro-6-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 166292111
N-[(4-bromocyclohexyl)methyl]-2,4,6-trifluorobenzenesulfonamide
CID 106136131
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526211
4-[[(1,2-dimethylimidazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525732

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 132971400) is 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KWQZSCICNIFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c15-11-2-1-3-12(16)13(11)22(20,21)17-8-9-4-6-10(7-5-9)14(18)19/h1-3,9-10,17H,4-8H2,(H,18,19).
What are the key properties of 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 333.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 132971400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).