N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

C13H10ClN3O2S2 — CID 53130896

IUPACN-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2ccn[nH]2)cs1
InChIInChI=1S/C13H10ClN3O2S2/c14-10-1-3-11(4-2-10)17-21(18,19)13-7-9(8-20-13)12-5-6-15-16-12/h1-8,17H,(H,15,16)
InChIKeyFTKSHTVMFDXATE-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.59
Rot. Bonds4

About N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53130896) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53130896
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC NameN-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2ccn[nH]2)cs1
InChIInChI=1S/C13H10ClN3O2S2/c14-10-1-3-11(4-2-10)17-21(18,19)13-7-9(8-20-13)12-5-6-15-16-12/h1-8,17H,(H,15,16)
InChIKeyFTKSHTVMFDXATE-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 N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53130896) is N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2ccn[nH]2)cs1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is FTKSHTVMFDXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c14-10-1-3-11(4-2-10)17-21(18,19)13-7-9(8-20-13)12-5-6-15-16-12/h1-8,17H,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(4-chlorophenyl)-4-(1H-pyrazol-5-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 N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53130896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).