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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Related Compounds

N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 75433919
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
1-ethyl-3,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146141237
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 35764851
N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 100695748
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
1-ethyl-3,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-4-sulfonamide
CID 122302530
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 71993047
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 71974663

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).