N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

C22H23NO5S2 — CID 13437572

IUPACN-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc(C)c(O)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO5S2/c1-15-5-9-20(10-6-15)29(25,26)23(19-13-17(3)22(24)18(4)14-19)30(27,28)21-11-7-16(2)8-12-21/h5-14,24H,1-4H3
InChIKeyWFHSOHODJVTICB-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.21
Rot. Bonds5

About N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (PubChem CID 13437572) has the molecular formula C22H23NO5S2 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
PubChem CID13437572
Molecular FormulaC22H23NO5S2
Molecular Weight445.56 g/mol
Exact Mass445.10
IUPAC NameN-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc(C)c(O)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO5S2/c1-15-5-9-20(10-6-15)29(25,26)23(19-13-17(3)22(24)18(4)14-19)30(27,28)21-11-7-16(2)8-12-21/h5-14,24H,1-4H3
InChIKeyWFHSOHODJVTICB-UHFFFAOYSA-N
XLogP4.21
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 177149474
1,1,1-trifluoro-N-(4-hydroxy-3,5-dimethylphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 21045179
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
4-methylbenzenesulfonic acid
CID 157221593
N-(2,3-dichloro-4-hydroxynaphthalen-1-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 15445841
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
CID 6371597
CID 6371597
N-[4-[2-[4-[bis-(4-methylphenyl)sulfonylamino]phenyl]-5-hydroxypentan-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 67934363
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
benzene-1,2,3-triol;tris(4-methylbenzenesulfonic acid)
CID 173157678

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (CID 13437572) is N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cc(C)c(O)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is WFHSOHODJVTICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S2/c1-15-5-9-20(10-6-15)29(25,26)23(19-13-17(3)22(24)18(4)14-19)30(27,28)21-11-7-16(2)8-12-21/h5-14,24H,1-4H3.
What are the key properties of N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 445.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,5-dimethylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 13437572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).