N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide

C14H20FNO3S — CID 162419805

IUPACN-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCC(F)C2)cc1
InChIInChI=1S/C14H20FNO3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-10-11-3-2-4-12(15)9-11/h5-8,11-12,16H,2-4,9-10H2,1H3
InChIKeyZAFLKLNEMKJDTK-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide

N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 162419805) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID162419805
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCC(F)C2)cc1
InChIInChI=1S/C14H20FNO3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-10-11-3-2-4-12(15)9-11/h5-8,11-12,16H,2-4,9-10H2,1H3
InChIKeyZAFLKLNEMKJDTK-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide (CID 162419805) is N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCC(F)C2)cc1.
What is the InChIKey of N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is ZAFLKLNEMKJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-13-5-7-14(8-6-13)20(17,18)16-10-11-3-2-4-12(15)9-11/h5-8,11-12,16H,2-4,9-10H2,1H3.
What are the key properties of N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide?
N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorocyclohexyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 162419805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).