N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide

C22H23NO3S — CID 143808531

IUPACN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cccc(-c3cc(C(C)C)c(O)cc3O)c2)cc1
InChIInChI=1S/C22H23NO3S/c1-14(2)19-12-20(22(25)13-21(19)24)16-5-4-6-17(11-16)23-27(26)18-9-7-15(3)8-10-18/h4-14,23-25H,1-3H3
InChIKeyJLMAGSCKLSRUMH-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.33
Rot. Bonds5

About N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide (PubChem CID 143808531) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide
PubChem CID143808531
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cccc(-c3cc(C(C)C)c(O)cc3O)c2)cc1
InChIInChI=1S/C22H23NO3S/c1-14(2)19-12-20(22(25)13-21(19)24)16-5-4-6-17(11-16)23-27(26)18-9-7-15(3)8-10-18/h4-14,23-25H,1-3H3
InChIKeyJLMAGSCKLSRUMH-UHFFFAOYSA-N
XLogP5.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide?
The IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide (CID 143808531) is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide.
What is the SMILES notation for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide?
The canonical SMILES for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide is Cc1ccc(S(=O)Nc2cccc(-c3cc(C(C)C)c(O)cc3O)c2)cc1.
What is the InChIKey of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide?
The InChIKey is JLMAGSCKLSRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-14(2)19-12-20(22(25)13-21(19)24)16-5-4-6-17(11-16)23-27(26)18-9-7-15(3)8-10-18/h4-14,23-25H,1-3H3.
What are the key properties of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide?
N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide has a molecular weight of 381.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)phenyl]-4-methylbenzenesulfinamide is sourced from PubChem (CID 143808531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).