4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H14N2O3S3 — CID 167825976

IUPAC4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCSc1sc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C13H14N2O3S3/c1-8-12(19-3)20-13(14-8)15-21(17,18)11-6-4-10(5-7-11)9(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyKWWGXGCMECAQOJ-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.18
Rot. Bonds5

About 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide

4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 167825976) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID167825976
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC Name4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCSc1sc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C13H14N2O3S3/c1-8-12(19-3)20-13(14-8)15-21(17,18)11-6-4-10(5-7-11)9(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyKWWGXGCMECAQOJ-UHFFFAOYSA-N
XLogP3.18
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
4-acetyl-N-(6-bromo-2-methyl-3-pyridinyl)benzenesulfonamide
CID 103907893
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16944556
4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 86883315
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 167825976) is 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide is CSc1sc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C.
What is the InChIKey of 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is KWWGXGCMECAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c1-8-12(19-3)20-13(14-8)15-21(17,18)11-6-4-10(5-7-11)9(2)16/h4-7H,1-3H3,(H,14,15).
What are the key properties of 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 167825976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).