3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide

C14H20ClNO3S — CID 64748145

IUPAC3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
SMILESCCC1CCC(Oc2ccc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-3-5-11(6-4-10)19-14-8-7-12(9-13(14)15)20(16,17)18/h7-11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyTVSRWVCAYVDUSH-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.34
Rot. Bonds4

About 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide

3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide (PubChem CID 64748145) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
PubChem CID64748145
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
SMILESCCC1CCC(Oc2ccc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C14H20ClNO3S/c1-2-10-3-5-11(6-4-10)19-14-8-7-12(9-13(14)15)20(16,17)18/h7-11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyTVSRWVCAYVDUSH-UHFFFAOYSA-N
XLogP3.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
4-(4-ethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
CID 64747563
N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorobenzenesulfonamide
CID 114245701
3-chloro-4-[[(2R,5S)-5-methoxyoxan-2-yl]methoxy]benzenesulfonamide
CID 168857206
3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
CID 165461386
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 133319384
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
3-chloro-4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]oxyaniline
CID 142522199
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide (CID 64748145) is 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide is CCC1CCC(Oc2ccc(S(N)(=O)=O)cc2Cl)CC1.
What is the InChIKey of 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is TVSRWVCAYVDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-10-3-5-11(6-4-10)19-14-8-7-12(9-13(14)15)20(16,17)18/h7-11H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide?
3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 64748145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).