N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

C20H19FN4O4S2 — CID 46281809

IUPACN-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1
InChIInChI=1S/C20H19FN4O4S2/c21-14-3-5-15(6-4-14)22-20(27)13-2-1-11-25(12-13)31(28,29)19-10-8-17(30-19)16-7-9-18(26)24-23-16/h3-10,13H,1-2,11-12H2,(H,22,27)(H,24,26)
InChIKeyREQOUNBSKMRKAH-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.68
Rot. Bonds5

About N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 46281809) has the molecular formula C20H19FN4O4S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID46281809
Molecular FormulaC20H19FN4O4S2
Molecular Weight462.53 g/mol
Exact Mass462.08
IUPAC NameN-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1
InChIInChI=1S/C20H19FN4O4S2/c21-14-3-5-15(6-4-14)22-20(27)13-2-1-11-25(12-13)31(28,29)19-10-8-17(30-19)16-7-9-18(26)24-23-16/h3-10,13H,1-2,11-12H2,(H,22,27)(H,24,26)
InChIKeyREQOUNBSKMRKAH-UHFFFAOYSA-N
XLogP2.68
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
CID 20926922
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
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CID 41008719
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CID 40639334
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
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CID 133168255
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 46281809) is N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is REQOUNBSKMRKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S2/c21-14-3-5-15(6-4-14)22-20(27)13-2-1-11-25(12-13)31(28,29)19-10-8-17(30-19)16-7-9-18(26)24-23-16/h3-10,13H,1-2,11-12H2,(H,22,27)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).