5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C13H10ClN3O2S2 — CID 5006789

IUPAC5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S2/c14-11-6-7-13(20-11)21(18,19)17-12-8-10(15-16-12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)
InChIKeyIQLUXEVMECLTAO-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 5006789) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID5006789
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S2/c14-11-6-7-13(20-11)21(18,19)17-12-8-10(15-16-12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17)
InChIKeyIQLUXEVMECLTAO-UHFFFAOYSA-N
XLogP3.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 5006789) is 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is IQLUXEVMECLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c14-11-6-7-13(20-11)21(18,19)17-12-8-10(15-16-12)9-4-2-1-3-5-9/h1-8H,(H2,15,16,17).
What are the key properties of 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 339.83 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-phenyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 5006789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).