N-benzyl-4-ethoxybenzenesulfonamide

C15H17NO3S — CID 788394

IUPACN-benzyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-19-14-8-10-15(11-9-14)20(17,18)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyULYHOJYPLGJQHB-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.56
Rot. Bonds6

About N-benzyl-4-ethoxybenzenesulfonamide

N-benzyl-4-ethoxybenzenesulfonamide (PubChem CID 788394) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-benzyl-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-ethoxybenzenesulfonamide
PubChem CID788394
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-benzyl-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-19-14-8-10-15(11-9-14)20(17,18)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
InChIKeyULYHOJYPLGJQHB-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4-ethoxybenzenesulfonamide (CID 788394) is N-benzyl-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-ethoxybenzenesulfonamide?
The InChIKey is ULYHOJYPLGJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-19-14-8-10-15(11-9-14)20(17,18)16-12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3.
What are the key properties of N-benzyl-4-ethoxybenzenesulfonamide?
N-benzyl-4-ethoxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).