2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine

C11H12ClN3O2S — CID 167970982

IUPAC2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine
SMILESCC(c1ccc(Cl)nc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H12ClN3O2S/c1-8(9-3-4-11(12)13-5-9)18(16,17)10-6-14-15(2)7-10/h3-8H,1-2H3
InChIKeyREEAPOJBCVFLPX-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.00
Rot. Bonds3

About 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine

2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine (PubChem CID 167970982) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine
PubChem CID167970982
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine
SMILESCC(c1ccc(Cl)nc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H12ClN3O2S/c1-8(9-3-4-11(12)13-5-9)18(16,17)10-6-14-15(2)7-10/h3-8H,1-2H3
InChIKeyREEAPOJBCVFLPX-UHFFFAOYSA-N
XLogP2.00
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)sulfonylacetate
CID 166395509
1-methylpyrazole-4-sulfonyl bromide
CID 130493718
[1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105253076
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392
N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
CID 163248040
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-(3-chlorobutyl)-1-methylpyrazole-4-sulfonamide
CID 65032541
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287993
2-chloro-5-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonylpyridine
CID 96566864
N-cyclopropyl-1-methyl-N-(1-naphthalen-2-ylethyl)pyrazole-4-sulfonamide
CID 47075545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine?
The IUPAC name of 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine (CID 167970982) is 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine.
What is the SMILES notation for 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine?
The canonical SMILES for 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine is CC(c1ccc(Cl)nc1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine?
The InChIKey is REEAPOJBCVFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-8(9-3-4-11(12)13-5-9)18(16,17)10-6-14-15(2)7-10/h3-8H,1-2H3.
What are the key properties of 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine?
2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine has a molecular weight of 285.76 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(1-methylpyrazol-4-yl)sulfonylethyl]pyridine is sourced from PubChem (CID 167970982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).