N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide

C16H25NO4S — CID 2942580

IUPACN-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)16-10-13(20-3)8-9-15(16)21-4/h8-12,14,17H,5-7H2,1-4H3
InChIKeyVKMXCIDWPMDYGM-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.81
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide

N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 2942580) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide
PubChem CID2942580
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCCC(C)C2C)c1
InChIInChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)16-10-13(20-3)8-9-15(16)21-4/h8-12,14,17H,5-7H2,1-4H3
InChIKeyVKMXCIDWPMDYGM-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide (CID 2942580) is N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CCCC(C)C2C)c1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is VKMXCIDWPMDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-11-6-5-7-14(12(11)2)17-22(18,19)16-10-13(20-3)8-9-15(16)21-4/h8-12,14,17H,5-7H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide?
N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2942580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).