N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide

C15H17NO4S — CID 4584276

IUPACN-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyYLXLNLAJPGHVPS-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.18
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 4584276) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID4584276
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H17NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyYLXLNLAJPGHVPS-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-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide (CID 4584276) is N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is YLXLNLAJPGHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-14-9-8-12(10-15(14)20-2)11-16-21(17,18)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide 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-[(3,4-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4584276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).