N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide

C14H20FNO2S — CID 64749989

IUPACN-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-2-11-4-3-5-13(10-11)16-19(17,18)14-8-6-12(15)7-9-14/h6-9,11,13,16H,2-5,10H2,1H3
InChIKeyCCPSWGWXLJFFBV-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.07
Rot. Bonds4

About N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide

N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 64749989) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID64749989
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO2S/c1-2-11-4-3-5-13(10-11)16-19(17,18)14-8-6-12(15)7-9-14/h6-9,11,13,16H,2-5,10H2,1H3
InChIKeyCCPSWGWXLJFFBV-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
CID 64748214
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 64749989) is N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is CCPSWGWXLJFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-2-11-4-3-5-13(10-11)16-19(17,18)14-8-6-12(15)7-9-14/h6-9,11,13,16H,2-5,10H2,1H3.
What are the key properties of N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 64749989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).