1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid

C14H18FNO4S — CID 61292850

IUPAC1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-10-6-4-5-9-14(10,13(17)18)16-21(19,20)12-8-3-2-7-11(12)15/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,17,18)
InChIKeyRCTQIIMYJNNSGY-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.14
Rot. Bonds4

About 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid

1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61292850) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61292850
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-10-6-4-5-9-14(10,13(17)18)16-21(19,20)12-8-3-2-7-11(12)15/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,17,18)
InChIKeyRCTQIIMYJNNSGY-UHFFFAOYSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid (CID 61292850) is 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NS(=O)(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is RCTQIIMYJNNSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-10-6-4-5-9-14(10,13(17)18)16-21(19,20)12-8-3-2-7-11(12)15/h2-3,7-8,10,16H,4-6,9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid?
1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).