N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide

C20H19NO5S2 — CID 55533188

IUPACN-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(Oc2ccccc2NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C20H19NO5S2/c1-15-11-13-16(14-12-15)26-18-8-4-3-7-17(18)21-28(24,25)20-10-6-5-9-19(20)27(2,22)23/h3-14,21H,1-2H3
InChIKeyKYIGGWRXOJJEEW-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide

N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 55533188) has the molecular formula C20H19NO5S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID55533188
Molecular FormulaC20H19NO5S2
Molecular Weight417.51 g/mol
Exact Mass417.07
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(Oc2ccccc2NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C20H19NO5S2/c1-15-11-13-16(14-12-15)26-18-8-4-3-7-17(18)21-28(24,25)20-10-6-5-9-19(20)27(2,22)23/h3-14,21H,1-2H3
InChIKeyKYIGGWRXOJJEEW-UHFFFAOYSA-N
XLogP3.99
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-methylphenyl)sulfonylamino]phenoxy]benzamide
CID 169372806
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-[2-(4-hydroxy-3-propylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 22459055
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide (CID 55533188) is N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide is Cc1ccc(Oc2ccccc2NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is KYIGGWRXOJJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S2/c1-15-11-13-16(14-12-15)26-18-8-4-3-7-17(18)21-28(24,25)20-10-6-5-9-19(20)27(2,22)23/h3-14,21H,1-2H3.
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide?
N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 417.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).