5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C13H11FN2O3S2 — CID 60814249

IUPAC5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C13H11FN2O3S2/c1-9-4-5-10(14)7-12(9)21(18,19)16-13-15-8-11(20-13)3-2-6-17/h4-5,7-8,17H,6H2,1H3,(H,15,16)
InChIKeyLSAPXYZWOXCRRH-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.74
Rot. Bonds3

About 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 60814249) has the molecular formula C13H11FN2O3S2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID60814249
Molecular FormulaC13H11FN2O3S2
Molecular Weight326.37 g/mol
Exact Mass326.02
IUPAC Name5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C13H11FN2O3S2/c1-9-4-5-10(14)7-12(9)21(18,19)16-13-15-8-11(20-13)3-2-6-17/h4-5,7-8,17H,6H2,1H3,(H,15,16)
InChIKeyLSAPXYZWOXCRRH-UHFFFAOYSA-N
XLogP1.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzenesulfonamide
CID 60812908
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
CID 60814917
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104710390
2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822919
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
2,5-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 175775889
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzenesulfonamide
CID 60814764
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361479
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 112812067
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 60814249) is 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is LSAPXYZWOXCRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S2/c1-9-4-5-10(14)7-12(9)21(18,19)16-13-15-8-11(20-13)3-2-6-17/h4-5,7-8,17H,6H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60814249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).