N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide

C13H18FNO3S — CID 935316

IUPACN-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C13H18FNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyJDTRDLNGCQPLTM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds4

About N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide

N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 935316) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID935316
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C13H18FNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3
InChIKeyJDTRDLNGCQPLTM-UHFFFAOYSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide (CID 935316) is N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCC2)ccc1F.
What is the InChIKey of N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is JDTRDLNGCQPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-18-13-9-11(7-8-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide?
N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 935316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).