N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide

C20H19NO4S — CID 1306301

IUPACN-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-24-17-11-7-15(8-12-17)16-9-13-18(14-10-16)26(22,23)21-19-5-3-4-6-20(19)25-2/h3-14,21H,1-2H3
InChIKeyPABPYTBUAFKIGN-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.17
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide

N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 1306301) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide
PubChem CID1306301
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-24-17-11-7-15(8-12-17)16-9-13-18(14-10-16)26(22,23)21-19-5-3-4-6-20(19)25-2/h3-14,21H,1-2H3
InChIKeyPABPYTBUAFKIGN-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide (CID 1306301) is N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is PABPYTBUAFKIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-24-17-11-7-15(8-12-17)16-9-13-18(14-10-16)26(22,23)21-19-5-3-4-6-20(19)25-2/h3-14,21H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide?
N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1306301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).