N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide

C26H22ClNO3S — CID 11754161

IUPACN-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C26H22ClNO3S/c1-32(29,30)28-22-11-7-10-20(16-22)23-12-5-6-13-24(23)25-17-21(27)14-15-26(25)31-18-19-8-3-2-4-9-19/h2-17,28H,18H2,1H3
InChIKeyWUTKHXWZOILTJG-UHFFFAOYSA-N
MW463.99 g/mol
LogP6.62
Rot. Bonds7

About N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide

N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide (PubChem CID 11754161) has the molecular formula C26H22ClNO3S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
PubChem CID11754161
Molecular FormulaC26H22ClNO3S
Molecular Weight463.99 g/mol
Exact Mass463.10
IUPAC NameN-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1
InChIInChI=1S/C26H22ClNO3S/c1-32(29,30)28-22-11-7-10-20(16-22)23-12-5-6-13-24(23)25-17-21(27)14-15-26(25)31-18-19-8-3-2-4-9-19/h2-17,28H,18H2,1H3
InChIKeyWUTKHXWZOILTJG-UHFFFAOYSA-N
XLogP6.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoate
CID 91900458
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoate
CID 23677039
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
CID 155154126
N-[3-[2-(2-phenylmethoxyphenyl)phenyl]phenyl]sulfonylacetamide
CID 10095630
3-[3-(5-chloro-2-phenylmethoxyphenyl)pyrazin-2-yl]benzoic acid
CID 11429983
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
3-(3-methylsulfonylphenyl)-4-phenylmethoxyaniline
CID 169408826
benzyl 2-[3,5-dichloro-2-[3-(methanesulfonamido)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10983695
ethyl 3-[2-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]cyclopenten-1-yl]-5-(methanesulfonamido)benzoate
CID 90849175
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide (CID 11754161) is N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1.
What is the InChIKey of N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide?
The InChIKey is WUTKHXWZOILTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO3S/c1-32(29,30)28-22-11-7-10-20(16-22)23-12-5-6-13-24(23)25-17-21(27)14-15-26(25)31-18-19-8-3-2-4-9-19/h2-17,28H,18H2,1H3.
What are the key properties of N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide?
N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide has a molecular weight of 463.99 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2-phenylmethoxyphenyl)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11754161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).