N-benzyl-3,4-dimethoxybenzenesulfonamide

C15H17NO4S — CID 571904

IUPACN-benzyl-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-19-14-9-8-13(10-15(14)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyVKKVQTFXBJRYSB-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.18
Rot. Bonds6

About N-benzyl-3,4-dimethoxybenzenesulfonamide

N-benzyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 571904) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-benzyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethoxybenzenesulfonamide
PubChem CID571904
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-benzyl-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-19-14-9-8-13(10-15(14)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyVKKVQTFXBJRYSB-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-benzyl-3,4-dimethoxybenzenesulfonamide (CID 571904) is N-benzyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VKKVQTFXBJRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-14-9-8-13(10-15(14)20-2)21(17,18)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-3,4-dimethoxybenzenesulfonamide?
N-benzyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 571904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).