N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide

C15H23NO3S — CID 700202

IUPACN-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-3-19-14-9-11-15(12-10-14)20(17,18)16(2)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyVXZMELIKRQWSBH-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.04
Rot. Bonds5

About N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide

N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 700202) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID700202
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-3-19-14-9-11-15(12-10-14)20(17,18)16(2)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3
InChIKeyVXZMELIKRQWSBH-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide (CID 700202) is N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is VXZMELIKRQWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-19-14-9-11-15(12-10-14)20(17,18)16(2)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide?
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 700202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).