4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide

C14H20FNO3S — CID 2989021

IUPAC4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3
InChIKeyBLNRCUKUAHWMHL-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.69
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide

4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 2989021) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID2989021
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2C)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3
InChIKeyBLNRCUKUAHWMHL-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
N-bicyclo[2.2.1]hept-2-yl-4-methoxybenzenesulfonamide
CID 2900004
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-benzyl-4-fluoro-3-methoxybenzenesulfonamide
CID 700246
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 850125
N-cyclopentyl-5-fluoro-2-methoxybenzenesulfonamide
CID 935192
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935316
N-cyclopentyl-4-fluoro-3-methoxybenzenesulfonamide
CID 935461
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
4-chloro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978623
N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 2980747

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide (CID 2989021) is 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is BLNRCUKUAHWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2989021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).