3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide

C20H19NO4S — CID 134153112

IUPAC3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO4S/c1-21(26(22,23)20-10-6-9-19(15-20)24-2)16-11-13-18(14-12-16)25-17-7-4-3-5-8-17/h3-15H,1-2H3
InChIKeyHYQBXEGPCIBWGS-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.31
Rot. Bonds6

About 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide

3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 134153112) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID134153112
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H19NO4S/c1-21(26(22,23)20-10-6-9-19(15-20)24-2)16-11-13-18(14-12-16)25-17-7-4-3-5-8-17/h3-15H,1-2H3
InChIKeyHYQBXEGPCIBWGS-UHFFFAOYSA-N
XLogP4.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide (CID 134153112) is 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide is COc1cccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is HYQBXEGPCIBWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-21(26(22,23)20-10-6-9-19(15-20)24-2)16-11-13-18(14-12-16)25-17-7-4-3-5-8-17/h3-15H,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide?
3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 134153112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).