2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid

C10H7ClN2O4S — CID 24695402

IUPAC2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H7ClN2O4S/c11-18(16,17)7-5-12-13(6-7)9-4-2-1-3-8(9)10(14)15/h1-6H,(H,14,15)
InChIKeyVTDNRABMRIRWJZ-UHFFFAOYSA-N
MW286.70 g/mol
LogP1.50
Rot. Bonds3

About 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid

2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid (PubChem CID 24695402) has the molecular formula C10H7ClN2O4S and a molecular weight of 286.70 g/mol. Its IUPAC name is 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid
PubChem CID24695402
Molecular FormulaC10H7ClN2O4S
Molecular Weight286.70 g/mol
Exact Mass285.98
IUPAC Name2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1-n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H7ClN2O4S/c11-18(16,17)7-5-12-13(6-7)9-4-2-1-3-8(9)10(14)15/h1-6H,(H,14,15)
InChIKeyVTDNRABMRIRWJZ-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid?
The IUPAC name of 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid (CID 24695402) is 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid is O=C(O)c1ccccc1-n1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid?
The InChIKey is VTDNRABMRIRWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S/c11-18(16,17)7-5-12-13(6-7)9-4-2-1-3-8(9)10(14)15/h1-6H,(H,14,15).
What are the key properties of 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid?
2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid has a molecular weight of 286.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorosulfonylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 24695402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).