N-ethyl-3,4-dimethoxybenzenesulfonamide

C10H15NO4S — CID 3368207

IUPACN-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO4S/c1-4-11-16(12,13)8-5-6-9(14-2)10(7-8)15-3/h5-7,11H,4H2,1-3H3
InChIKeyFVAWTPSWVOEWTR-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-3,4-dimethoxybenzenesulfonamide

N-ethyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 3368207) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxybenzenesulfonamide
PubChem CID3368207
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC NameN-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C10H15NO4S/c1-4-11-16(12,13)8-5-6-9(14-2)10(7-8)15-3/h5-7,11H,4H2,1-3H3
InChIKeyFVAWTPSWVOEWTR-UHFFFAOYSA-N
XLogP1.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-ethyl-3,4-dimethoxybenzenesulfonamide (CID 3368207) is N-ethyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-dimethoxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FVAWTPSWVOEWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-4-11-16(12,13)8-5-6-9(14-2)10(7-8)15-3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethoxybenzenesulfonamide?
N-ethyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 245.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3368207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).