5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride

C7H5ClN2O2S2 — CID 2736710

IUPAC5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C7H5ClN2O2S2/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)
InChIKeyDUXZTTCOHYHPOL-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.07
Rot. Bonds2

About 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride

5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride (PubChem CID 2736710) has the molecular formula C7H5ClN2O2S2 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
PubChem CID2736710
Molecular FormulaC7H5ClN2O2S2
Molecular Weight248.72 g/mol
Exact Mass247.95
IUPAC Name5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C7H5ClN2O2S2/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)
InChIKeyDUXZTTCOHYHPOL-UHFFFAOYSA-N
XLogP2.07
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride (CID 2736710) is 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride?
The InChIKey is DUXZTTCOHYHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S2/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10).
What are the key properties of 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride?
5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride has a molecular weight of 248.72 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 2736710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).