1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide

C21H21NO4S — CID 166631488

IUPAC1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-20-11-7-18(8-12-20)16-27(23,24)22-19-9-13-21(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3
InChIKeyCNJCPAIIVCHQFW-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.22
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide

1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 166631488) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
PubChem CID166631488
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-20-11-7-18(8-12-20)16-27(23,24)22-19-9-13-21(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3
InChIKeyCNJCPAIIVCHQFW-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide (CID 166631488) is 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide is COc1ccc(CS(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is CNJCPAIIVCHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-20-11-7-18(8-12-20)16-27(23,24)22-19-9-13-21(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide?
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 166631488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).