N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide

C16H15FN4O2S — CID 31913493

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)n1
InChIInChI=1S/C16H15FN4O2S/c1-11-8-12(2)21(19-11)16-7-6-14(10-18-16)20-24(22,23)15-5-3-4-13(17)9-15/h3-10,20H,1-2H3
InChIKeyRIXWORPLULNUNR-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide (PubChem CID 31913493) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide
PubChem CID31913493
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)n1
InChIInChI=1S/C16H15FN4O2S/c1-11-8-12(2)21(19-11)16-7-6-14(10-18-16)20-24(22,23)15-5-3-4-13(17)9-15/h3-10,20H,1-2H3
InChIKeyRIXWORPLULNUNR-UHFFFAOYSA-N
XLogP2.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3,5-difluorobenzenesulfonamide
CID 47065133
(E)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenylethenesulfonamide
CID 31913463
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802156
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
3-fluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 50747974
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 50946302
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
CID 122305668
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 122292602

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide (CID 31913493) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide is Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide?
The InChIKey is RIXWORPLULNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-11-8-12(2)21(19-11)16-7-6-14(10-18-16)20-24(22,23)15-5-3-4-13(17)9-15/h3-10,20H,1-2H3.
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 31913493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).