5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride

C8H7ClN2O2S2 — CID 52952713

IUPAC5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C8H7ClN2O2S2/c1-6-4-10-11(5-6)7-2-3-8(14-7)15(9,12)13/h2-5H,1H3
InChIKeyVAVUSMYOWDQHAJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.17
Rot. Bonds2

About 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride

5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride (PubChem CID 52952713) has the molecular formula C8H7ClN2O2S2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride
PubChem CID52952713
Molecular FormulaC8H7ClN2O2S2
Molecular Weight262.74 g/mol
Exact Mass261.96
IUPAC Name5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)Cl)s2)c1
InChIInChI=1S/C8H7ClN2O2S2/c1-6-4-10-11(5-6)7-2-3-8(14-7)15(9,12)13/h2-5H,1H3
InChIKeyVAVUSMYOWDQHAJ-UHFFFAOYSA-N
XLogP2.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
3-[(3-Methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 167900899
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317
5-Pyrazol-1-ylthiophene-2-thiol
CID 70532458
1-(5-Iodothiophen-2-yl)-4-methylpyrazole
CID 70864848
5-(4-Iodopyrazol-1-yl)thiophene-2-sulfonyl chloride
CID 87432155
5-Pyrazol-1-ylthiophene-2-sulfonic acid
CID 87634089
(2-Pyrazol-1-ylthiophen-3-yl)methanamine
CID 146189770
4-Tert-butyl-1-thiophen-2-ylpyrazole
CID 155787866
5-(4-Iodopyrazol-1-yl)thiophene-2-sulfonic acid;hydrochloride
CID 174515636

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride (CID 52952713) is 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride is Cc1cnn(-c2ccc(S(=O)(=O)Cl)s2)c1.
What is the InChIKey of 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride?
The InChIKey is VAVUSMYOWDQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S2/c1-6-4-10-11(5-6)7-2-3-8(14-7)15(9,12)13/h2-5H,1H3.
What are the key properties of 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride?
5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride has a molecular weight of 262.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrazol-1-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 52952713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).