3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

C21H21NO4S — CID 73351056

IUPAC3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cccc(N(C)S(=O)(=O)c3cccc(OC)c3)c2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-12-6-11-20(15-21)26-3)18-9-4-7-16(13-18)17-8-5-10-19(14-17)25-2/h4-15H,1-3H3
InChIKeyPLBSKHREONAECB-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.20
Rot. Bonds6

About 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide

3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 73351056) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID73351056
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cccc(N(C)S(=O)(=O)c3cccc(OC)c3)c2)c1
InChIInChI=1S/C21H21NO4S/c1-22(27(23,24)21-12-6-11-20(15-21)26-3)18-9-4-7-16(13-18)17-8-5-10-19(14-17)25-2/h4-15H,1-3H3
InChIKeyPLBSKHREONAECB-UHFFFAOYSA-N
XLogP4.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide (CID 73351056) is 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is COc1cccc(-c2cccc(N(C)S(=O)(=O)c3cccc(OC)c3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is PLBSKHREONAECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-22(27(23,24)21-12-6-11-20(15-21)26-3)18-9-4-7-16(13-18)17-8-5-10-19(14-17)25-2/h4-15H,1-3H3.
What are the key properties of 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide?
3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73351056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).