N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide

C20H19NO4S — CID 71390494

IUPACN-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H19NO4S/c1-24-20-14-17(21-26(22,23)18-10-6-3-7-11-18)12-13-19(20)25-15-16-8-4-2-5-9-16/h2-14,21H,15H2,1H3
InChIKeyNTBAUQXQPTUTHV-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.07
Rot. Bonds7

About N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide

N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 71390494) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID71390494
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H19NO4S/c1-24-20-14-17(21-26(22,23)18-10-6-3-7-11-18)12-13-19(20)25-15-16-8-4-2-5-9-16/h2-14,21H,15H2,1H3
InChIKeyNTBAUQXQPTUTHV-UHFFFAOYSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide (CID 71390494) is N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is NTBAUQXQPTUTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-24-20-14-17(21-26(22,23)18-10-6-3-7-11-18)12-13-19(20)25-15-16-8-4-2-5-9-16/h2-14,21H,15H2,1H3.
What are the key properties of N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide?
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 71390494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).