5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide

C14H16ClFN4O2S — CID 75815412

IUPAC5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCNCC2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2
InChIKeyXMUAZEINLRUFHP-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.40
Rot. Bonds4

About 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide

5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide (PubChem CID 75815412) has the molecular formula C14H16ClFN4O2S and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide
PubChem CID75815412
Molecular FormulaC14H16ClFN4O2S
Molecular Weight358.83 g/mol
Exact Mass358.07
IUPAC Name5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCNCC2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2
InChIKeyXMUAZEINLRUFHP-UHFFFAOYSA-N
XLogP2.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6467959
1-(4-chlorophenyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465421
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
1-(3-Chloro-4-fluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)-1,4-diazepane
CID 71790558
1-(2-Chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 86794789
N-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 97611104
N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4182842
[(4-Chlorophenyl)sulfonyl]{1-[(4-fluorophenyl)methyl]pyrazol-4-yl}amine
CID 17376586
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4770491
4-chloro-N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4772796
N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4772840
N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6469273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide (CID 75815412) is 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCNCC2)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is XMUAZEINLRUFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2.
What are the key properties of 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide?
5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 358.83 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1-piperidin-4-ylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 75815412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).