2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H13ClN2O3S2 — CID 106831897

IUPAC2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sc(Cl)nc2C)c(C)cc1O
InChIInChI=1S/C12H13ClN2O3S2/c1-6-5-10(16)7(2)4-9(6)15-20(17,18)11-8(3)14-12(13)19-11/h4-5,15-16H,1-3H3
InChIKeyHLSQCQRKZXSCSD-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 106831897) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID106831897
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sc(Cl)nc2C)c(C)cc1O
InChIInChI=1S/C12H13ClN2O3S2/c1-6-5-10(16)7(2)4-9(6)15-20(17,18)11-8(3)14-12(13)19-11/h4-5,15-16H,1-3H3
InChIKeyHLSQCQRKZXSCSD-UHFFFAOYSA-N
XLogP3.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131
2-chloro-N-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456195
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456130
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 115376859
1-hydroxy-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 106954609
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 114387374
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 106831897) is 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2sc(Cl)nc2C)c(C)cc1O.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is HLSQCQRKZXSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-6-5-10(16)7(2)4-9(6)15-20(17,18)11-8(3)14-12(13)19-11/h4-5,15-16H,1-3H3.
What are the key properties of 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 332.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106831897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).