[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide

C21H21NO4S — CID 22087416

IUPAC[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H21NO4S/c22-27(23,24)16-19-11-12-20(25-14-17-7-3-1-4-8-17)13-21(19)26-15-18-9-5-2-6-10-18/h1-13H,14-16H2,(H2,22,23,24)
InChIKeyHHGPNDIQVSLJQO-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.63
Rot. Bonds8

About [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide

[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide (PubChem CID 22087416) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
PubChem CID22087416
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C21H21NO4S/c22-27(23,24)16-19-11-12-20(25-14-17-7-3-1-4-8-17)13-21(19)26-15-18-9-5-2-6-10-18/h1-13H,14-16H2,(H2,22,23,24)
InChIKeyHHGPNDIQVSLJQO-UHFFFAOYSA-N
XLogP3.63
TPSA78.62 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 67638769
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide (CID 22087416) is [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide?
The InChIKey is HHGPNDIQVSLJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c22-27(23,24)16-19-11-12-20(25-14-17-7-3-1-4-8-17)13-21(19)26-15-18-9-5-2-6-10-18/h1-13H,14-16H2,(H2,22,23,24).
What are the key properties of [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide?
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(phenylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 22087416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).