5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride

C8H6Cl2N2O2S2 — CID 52952711

IUPAC5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)sc1-n1cc(Cl)cn1
InChIInChI=1S/C8H6Cl2N2O2S2/c1-5-2-7(16(10,13)14)15-8(5)12-4-6(9)3-11-12/h2-4H,1H3
InChIKeyLYVVIHKCUZSOTO-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.82
Rot. Bonds2

About 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride

5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride (PubChem CID 52952711) has the molecular formula C8H6Cl2N2O2S2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride
PubChem CID52952711
Molecular FormulaC8H6Cl2N2O2S2
Molecular Weight297.19 g/mol
Exact Mass295.92
IUPAC Name5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)sc1-n1cc(Cl)cn1
InChIInChI=1S/C8H6Cl2N2O2S2/c1-5-2-7(16(10,13)14)15-8(5)12-4-6(9)3-11-12/h2-4H,1H3
InChIKeyLYVVIHKCUZSOTO-UHFFFAOYSA-N
XLogP2.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride (CID 52952711) is 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)sc1-n1cc(Cl)cn1.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride?
The InChIKey is LYVVIHKCUZSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2S2/c1-5-2-7(16(10,13)14)15-8(5)12-4-6(9)3-11-12/h2-4H,1H3.
What are the key properties of 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride?
5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride has a molecular weight of 297.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)-4-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 52952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).