1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide

C25H23FN4O3S — CID 24746325

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H23FN4O3S/c26-19-8-10-21(11-9-19)34(32,33)29-12-4-7-20(16-29)30-24-14-18(17-5-2-1-3-6-17)13-22(25(27)31)23(24)15-28-30/h1-3,5-6,8-11,13-15,20H,4,7,12,16H2,(H2,27,31)
InChIKeyCMQRIQVUPKQYFY-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.97
Rot. Bonds5

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide

1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide (PubChem CID 24746325) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide
PubChem CID24746325
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H23FN4O3S/c26-19-8-10-21(11-9-19)34(32,33)29-12-4-7-20(16-29)30-24-14-18(17-5-2-1-3-6-17)13-22(25(27)31)23(24)15-28-30/h1-3,5-6,8-11,13-15,20H,4,7,12,16H2,(H2,27,31)
InChIKeyCMQRIQVUPKQYFY-UHFFFAOYSA-N
XLogP3.97
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide (CID 24746325) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c1cnn2C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide?
The InChIKey is CMQRIQVUPKQYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c26-19-8-10-21(11-9-19)34(32,33)29-12-4-7-20(16-29)30-24-14-18(17-5-2-1-3-6-17)13-22(25(27)31)23(24)15-28-30/h1-3,5-6,8-11,13-15,20H,4,7,12,16H2,(H2,27,31).
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide?
1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-phenylindazole-4-carboxamide is sourced from PubChem (CID 24746325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).