N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide

C14H18FNO3S — CID 10756566

IUPACN-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
SMILESCS(=O)(=O)N(C(=O)C1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO3S/c1-20(18,19)16(13-10-6-5-9-12(13)15)14(17)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyRUDPUYFFZZULIY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.70
Rot. Bonds3

About N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide

N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide (PubChem CID 10756566) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
PubChem CID10756566
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC NameN-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
SMILESCS(=O)(=O)N(C(=O)C1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO3S/c1-20(18,19)16(13-10-6-5-9-12(13)15)14(17)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyRUDPUYFFZZULIY-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide (CID 10756566) is N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide is CS(=O)(=O)N(C(=O)C1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide?
The InChIKey is RUDPUYFFZZULIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-20(18,19)16(13-10-6-5-9-12(13)15)14(17)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide?
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide is sourced from PubChem (CID 10756566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).