N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline

C17H20N2O5S2 — CID 121231404

IUPACN,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1N(O)O
InChIInChI=1S/C17H20N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20-21H,9-10H2,1-2H3
InChIKeyLZMCVRHNNGRAOJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.02
Rot. Bonds5

About N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline

N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline (PubChem CID 121231404) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
PubChem CID121231404
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1N(O)O
InChIInChI=1S/C17H20N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20-21H,9-10H2,1-2H3
InChIKeyLZMCVRHNNGRAOJ-UHFFFAOYSA-N
XLogP3.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline 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,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The IUPAC name of N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline (CID 121231404) is N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline.
What is the SMILES notation for N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The canonical SMILES for N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline is COc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1N(O)O.
What is the InChIKey of N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The InChIKey is LZMCVRHNNGRAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20-21H,9-10H2,1-2H3.
What are the key properties of N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline has a molecular weight of 396.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-methoxy-5-[3-(4-methylphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline is sourced from PubChem (CID 121231404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).