N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C12H14Cl2N4O2S — CID 126818385

IUPACN-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)cnc2Cl)c1C
InChIInChI=1S/C12H14Cl2N4O2S/c1-4-18-8(3)11(7(2)16-18)21(19,20)17-10-5-9(13)6-15-12(10)14/h5-6,17H,4H2,1-3H3
InChIKeyJLEHIBVIUCOTSI-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.02
Rot. Bonds4

About N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 126818385) has the molecular formula C12H14Cl2N4O2S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID126818385
Molecular FormulaC12H14Cl2N4O2S
Molecular Weight349.24 g/mol
Exact Mass348.02
IUPAC NameN-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)cnc2Cl)c1C
InChIInChI=1S/C12H14Cl2N4O2S/c1-4-18-8(3)11(7(2)16-18)21(19,20)17-10-5-9(13)6-15-12(10)14/h5-6,17H,4H2,1-3H3
InChIKeyJLEHIBVIUCOTSI-UHFFFAOYSA-N
XLogP3.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 126818385) is N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)cnc2Cl)c1C.
What is the InChIKey of N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JLEHIBVIUCOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2S/c1-4-18-8(3)11(7(2)16-18)21(19,20)17-10-5-9(13)6-15-12(10)14/h5-6,17H,4H2,1-3H3.
What are the key properties of N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 349.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 126818385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).