N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide

C15H17NO5S2 — CID 1269047

IUPACN-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Cc1ccc(Oc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17NO5S2/c1-22(17,18)11-12-3-7-14(8-4-12)21-15-9-5-13(6-10-15)16-23(2,19)20/h3-10,16H,11H2,1-2H3
InChIKeyYLBKLOPMDQPYIL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.39
Rot. Bonds6

About N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide

N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide (PubChem CID 1269047) has the molecular formula C15H17NO5S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
PubChem CID1269047
Molecular FormulaC15H17NO5S2
Molecular Weight355.44 g/mol
Exact Mass355.05
IUPAC NameN-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Cc1ccc(Oc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17NO5S2/c1-22(17,18)11-12-3-7-14(8-4-12)21-15-9-5-13(6-10-15)16-23(2,19)20/h3-10,16H,11H2,1-2H3
InChIKeyYLBKLOPMDQPYIL-UHFFFAOYSA-N
XLogP2.39
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
CID 58688842
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-phenoxyphenyl)-1-phenylmethanesulfonamide
CID 8512912
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide
CID 12943033
CID 90390717
CID 90390717

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide (CID 1269047) is N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide is CS(=O)(=O)Cc1ccc(Oc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide?
The InChIKey is YLBKLOPMDQPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S2/c1-22(17,18)11-12-3-7-14(8-4-12)21-15-9-5-13(6-10-15)16-23(2,19)20/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide?
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide has a molecular weight of 355.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 1269047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).