N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide

C15H23NO3S — CID 850126

IUPACN-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-3-19-14-10-9-12(2)11-15(14)20(17,18)16-13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyBHMIZOQTYZPFHP-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.00
Rot. Bonds5

About N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide

N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide (PubChem CID 850126) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
PubChem CID850126
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
SMILESCCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H23NO3S/c1-3-19-14-10-9-12(2)11-15(14)20(17,18)16-13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyBHMIZOQTYZPFHP-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide (CID 850126) is N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide is CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide?
The InChIKey is BHMIZOQTYZPFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-19-14-10-9-12(2)11-15(14)20(17,18)16-13-7-5-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide?
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 850126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).