4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride

C11H11ClN2O4S3 — CID 63944652

IUPAC4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyUXDVKUTWSWWQDE-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.49
Rot. Bonds4

About 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride (PubChem CID 63944652) has the molecular formula C11H11ClN2O4S3 and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
PubChem CID63944652
Molecular FormulaC11H11ClN2O4S3
Molecular Weight366.87 g/mol
Exact Mass365.96
IUPAC Name4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14)
InChIKeyUXDVKUTWSWWQDE-UHFFFAOYSA-N
XLogP2.49
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride 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 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride (CID 63944652) is 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride is Cc1cccc(S(=O)(=O)Nc2nc(C)c(S(=O)(=O)Cl)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is UXDVKUTWSWWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S3/c1-7-4-3-5-9(6-7)21(17,18)14-11-13-8(2)10(19-11)20(12,15)16/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 366.87 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)sulfonylamino]-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 63944652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).