N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide

C21H21NO4S — CID 70516197

IUPACN-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4S/c1-27(23,24)22-20-14-19(25-15-17-8-4-2-5-9-17)12-13-21(20)26-16-18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3
InChIKeyXXBMOLFWNMOQNE-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.22
Rot. Bonds8

About N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide

N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide (PubChem CID 70516197) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
PubChem CID70516197
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21NO4S/c1-27(23,24)22-20-14-19(25-15-17-8-4-2-5-9-17)12-13-21(20)26-16-18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3
InChIKeyXXBMOLFWNMOQNE-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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Related Compounds

N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N-ethyl-2,5-bis(phenylmethoxy)aniline
CID 15565906
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
CID 141223265
N-[5-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)propoxy]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11386674
4-[4-[[(2S)-2-hydroxy-3-[3-(methanesulfonamido)-4-phenylmethoxyphenoxy]propyl]amino]cyclohexyl]benzoic acid
CID 11444477
N-[5-[2-[benzyl-[4-[benzyl-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-2-oxoethyl]amino]butyl]amino]acetyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 21438084
N-[5-[(2R)-3-[benzyl-[4-(4-hydroxyphenyl)cyclohexyl]amino]-2-hydroxypropoxy]-2-phenylmethoxyphenyl]methanesulfonamide
CID 69198025
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide (CID 70516197) is N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide?
The InChIKey is XXBMOLFWNMOQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-27(23,24)22-20-14-19(25-15-17-8-4-2-5-9-17)12-13-21(20)26-16-18-10-6-3-7-11-18/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide?
N-[2,5-bis(phenylmethoxy)phenyl]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 N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 70516197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).