N-benzyl-N-ethyl-4-methoxybenzenesulfonamide

C16H19NO3S — CID 742463

IUPACN-benzyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(13-14-7-5-4-6-8-14)21(18,19)16-11-9-15(20-2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyGODGJXTVHLMWLQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.91
Rot. Bonds6

About N-benzyl-N-ethyl-4-methoxybenzenesulfonamide

N-benzyl-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 742463) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID742463
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-benzyl-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO3S/c1-3-17(13-14-7-5-4-6-8-14)21(18,19)16-11-9-15(20-2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyGODGJXTVHLMWLQ-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-4-methoxybenzenesulfonamide (CID 742463) is N-benzyl-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-4-methoxybenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is GODGJXTVHLMWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-17(13-14-7-5-4-6-8-14)21(18,19)16-11-9-15(20-2)10-12-16/h4-12H,3,13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-methoxybenzenesulfonamide?
N-benzyl-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 742463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).