5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride

C8H6ClNO3S2 — CID 53212015

IUPAC5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
SMILESCc1cc(-c2ccc(S(=O)(=O)Cl)s2)on1
InChIInChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKeyKYTGBJPEUYAGNH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.64
Rot. Bonds2

About 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride

5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride (PubChem CID 53212015) has the molecular formula C8H6ClNO3S2 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
PubChem CID53212015
Molecular FormulaC8H6ClNO3S2
Molecular Weight263.73 g/mol
Exact Mass262.95
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
SMILESCc1cc(-c2ccc(S(=O)(=O)Cl)s2)on1
InChIInChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKeyKYTGBJPEUYAGNH-UHFFFAOYSA-N
XLogP2.64
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methanol
CID 2776547
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 16024975
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
5-Thiophen-2-yl-isoxazole-3-carbaldehyde
CID 2776546
5-(3,4-Dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
CID 52997037
N-(2-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025003
1-Ethyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936267

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride (CID 53212015) is 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride is Cc1cc(-c2ccc(S(=O)(=O)Cl)s2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The InChIKey is KYTGBJPEUYAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride has a molecular weight of 263.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 53212015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).