5-phenyl-1,3-thiazole-4-sulfonamide

C9H8N2O2S2 — CID 139582159

IUPAC5-phenyl-1,3-thiazole-4-sulfonamide
SMILESNS(=O)(=O)c1ncsc1-c1ccccc1
InChIInChI=1S/C9H8N2O2S2/c10-15(12,13)9-8(14-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeyFNCIPENUMRZABT-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.46
Rot. Bonds2

About 5-phenyl-1,3-thiazole-4-sulfonamide

5-phenyl-1,3-thiazole-4-sulfonamide (PubChem CID 139582159) has the molecular formula C9H8N2O2S2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-phenyl-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name5-phenyl-1,3-thiazole-4-sulfonamide
PubChem CID139582159
Molecular FormulaC9H8N2O2S2
Molecular Weight240.31 g/mol
Exact Mass240.00
IUPAC Name5-phenyl-1,3-thiazole-4-sulfonamide
SMILESNS(=O)(=O)c1ncsc1-c1ccccc1
InChIInChI=1S/C9H8N2O2S2/c10-15(12,13)9-8(14-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13)
InChIKeyFNCIPENUMRZABT-UHFFFAOYSA-N
XLogP1.46
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-Methylsulfonylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155549747
4-Methyl-5-phenylthiazole
CID 21709653
5-(4-Piperazin-1-ylsulfonylphenyl)-1,3-thiazole
CID 132395447
1-(2-Fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide
CID 67196317
5-Phenyl-1,3-thiazole;trifluoromethanesulfonic acid
CID 90384679
5-(3-Fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole
CID 141108498
5-(4-Fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazole
CID 141108502
5-(3-Fluoro-4-methylsulfonylphenyl)-1,3-thiazole
CID 151437489
4-tert-butyl-3-fluoro-N-methyl-N-[2-methyl-2-(1,3-thiazol-5-yl)propyl]benzenesulfonamide
CID 155179637
(E)-3-fluoro-2-[[3-(2-methyl-1,3-thiazol-5-yl)phenyl]sulfonylmethyl]prop-2-en-1-amine
CID 170972367
4-Fluoro-5-phenyl-1,3-thiazole
CID 173513369
2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
CID 175713473

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-thiazole-4-sulfonamide?
The IUPAC name of 5-phenyl-1,3-thiazole-4-sulfonamide (CID 139582159) is 5-phenyl-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 5-phenyl-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 5-phenyl-1,3-thiazole-4-sulfonamide is NS(=O)(=O)c1ncsc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-thiazole-4-sulfonamide?
The InChIKey is FNCIPENUMRZABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S2/c10-15(12,13)9-8(14-6-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13).
What are the key properties of 5-phenyl-1,3-thiazole-4-sulfonamide?
5-phenyl-1,3-thiazole-4-sulfonamide has a molecular weight of 240.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 139582159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).