4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

C21H21NO4S — CID 73347960

IUPAC4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-22(18-9-11-19(25-2)12-10-18)27(23,24)21-13-7-16(8-14-21)17-5-4-6-20(15-17)26-3/h4-15H,1-3H3
InChIKeyBDBNXSRLAWWJLY-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.20
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 73347960) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID73347960
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-22(18-9-11-19(25-2)12-10-18)27(23,24)21-13-7-16(8-14-21)17-5-4-6-20(15-17)26-3/h4-15H,1-3H3
InChIKeyBDBNXSRLAWWJLY-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 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 73347960) is 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(-c3cccc(OC)c3)cc2)cc1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is BDBNXSRLAWWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-22(18-9-11-19(25-2)12-10-18)27(23,24)21-13-7-16(8-14-21)17-5-4-6-20(15-17)26-3/h4-15H,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-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 4-(3-methoxyphenyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 73347960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).