N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide

C13H17FN4O2S — CID 127267171

IUPACN-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide
SMILESCCC(C)n1ncc(NS(=O)(=O)c2ccc(F)nc2)c1C
InChIInChI=1S/C13H17FN4O2S/c1-4-9(2)18-10(3)12(8-16-18)17-21(19,20)11-5-6-13(14)15-7-11/h5-9,17H,4H2,1-3H3
InChIKeyBKMGKCWCOLFRCL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.50
Rot. Bonds5

About N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide

N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide (PubChem CID 127267171) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide
PubChem CID127267171
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide
SMILESCCC(C)n1ncc(NS(=O)(=O)c2ccc(F)nc2)c1C
InChIInChI=1S/C13H17FN4O2S/c1-4-9(2)18-10(3)12(8-16-18)17-21(19,20)11-5-6-13(14)15-7-11/h5-9,17H,4H2,1-3H3
InChIKeyBKMGKCWCOLFRCL-UHFFFAOYSA-N
XLogP2.50
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.50
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

1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide
CID 99859445
N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 22209278
N-(1,5-dimethylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 22209123
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
6-fluoropyridine-3-sulfonyl fluoride
CID 119027961
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(3-chloro-4-hydroxyphenyl)urea
CID 129358603
6-amino-N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62149213
6-(ethylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62143880
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide (CID 127267171) is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide is CCC(C)n1ncc(NS(=O)(=O)c2ccc(F)nc2)c1C.
What is the InChIKey of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide?
The InChIKey is BKMGKCWCOLFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-4-9(2)18-10(3)12(8-16-18)17-21(19,20)11-5-6-13(14)15-7-11/h5-9,17H,4H2,1-3H3.
What are the key properties of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide?
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 127267171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).