N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide

C14H20FNO2S — CID 668996

IUPACN-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h8-11,13H,2-7H2,1H3
InChIKeyGNNLUTYBIQYDOJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.17
Rot. Bonds4

About N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide

N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 668996) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID668996
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h8-11,13H,2-7H2,1H3
InChIKeyGNNLUTYBIQYDOJ-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide (CID 668996) is N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is GNNLUTYBIQYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h8-11,13H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide?
N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 668996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).