N-cycloheptyl-4-ethoxybenzenesulfonamide

C15H23NO3S — CID 975925

IUPACN-cycloheptyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-19-14-9-11-15(12-10-14)20(17,18)16-13-7-5-3-4-6-8-13/h9-13,16H,2-8H2,1H3
InChIKeyHKEHPTASRJEUHA-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.09
Rot. Bonds5

About N-cycloheptyl-4-ethoxybenzenesulfonamide

N-cycloheptyl-4-ethoxybenzenesulfonamide (PubChem CID 975925) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cycloheptyl-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-ethoxybenzenesulfonamide
PubChem CID975925
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cycloheptyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-19-14-9-11-15(12-10-14)20(17,18)16-13-7-5-3-4-6-8-13/h9-13,16H,2-8H2,1H3
InChIKeyHKEHPTASRJEUHA-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-ethoxybenzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-ethoxybenzenesulfonamide (CID 975925) is N-cycloheptyl-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-ethoxybenzenesulfonamide?
The InChIKey is HKEHPTASRJEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-19-14-9-11-15(12-10-14)20(17,18)16-13-7-5-3-4-6-8-13/h9-13,16H,2-8H2,1H3.
What are the key properties of N-cycloheptyl-4-ethoxybenzenesulfonamide?
N-cycloheptyl-4-ethoxybenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 975925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).