4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide

C14H20ClNO3S — CID 25248820

IUPAC4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyIONAGLDEXGPVHY-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.35
Rot. Bonds5

About 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide

4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide (PubChem CID 25248820) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
PubChem CID25248820
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyIONAGLDEXGPVHY-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
3-bromo-4-ethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide (CID 25248820) is 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide?
The InChIKey is IONAGLDEXGPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3.
What are the key properties of 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide?
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide is sourced from PubChem (CID 25248820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).