6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

C12H15ClN4O2S — CID 47400652

IUPAC6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN4O2S/c1-3-17(9-10-6-15-16(2)8-10)20(18,19)11-4-5-12(13)14-7-11/h4-8H,3,9H2,1-2H3
InChIKeySGUAMUWQMYEIPF-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.68
Rot. Bonds5

About 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 47400652) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID47400652
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H15ClN4O2S/c1-3-17(9-10-6-15-16(2)8-10)20(18,19)11-4-5-12(13)14-7-11/h4-8H,3,9H2,1-2H3
InChIKeySGUAMUWQMYEIPF-UHFFFAOYSA-N
XLogP1.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.68
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

N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52753328
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
CID 174467940
CID 174467940
N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52783463
2-chloro-5-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]sulfonylpyridine
CID 96566864
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476531

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (CID 47400652) is 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is SGUAMUWQMYEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-3-17(9-10-6-15-16(2)8-10)20(18,19)11-4-5-12(13)14-7-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 47400652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).