3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide

C17H27NO4S — CID 50876225

IUPAC3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OCC
InChIInChI=1S/C17H27NO4S/c1-4-21-16-11-10-14(12-17(16)22-5-2)23(19,20)18-15-9-7-6-8-13(15)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyWQXQATNIKBZHOS-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.34
Rot. Bonds7

About 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide

3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 50876225) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID50876225
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OCC
InChIInChI=1S/C17H27NO4S/c1-4-21-16-11-10-14(12-17(16)22-5-2)23(19,20)18-15-9-7-6-8-13(15)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyWQXQATNIKBZHOS-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide (CID 50876225) is 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is WQXQATNIKBZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-4-21-16-11-10-14(12-17(16)22-5-2)23(19,20)18-15-9-7-6-8-13(15)3/h10-13,15,18H,4-9H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide?
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 341.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 50876225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).