N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide

C21H23FN4O2S — CID 171914789

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccccc2S(=O)(=O)NC2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H23FN4O2S/c1-25-15-16(14-23-25)20-4-2-3-5-21(20)29(27,28)24-18-10-12-26(13-11-18)19-8-6-17(22)7-9-19/h2-9,14-15,18,24H,10-13H2,1H3
InChIKeyZMPRCESIIYBRCA-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 171914789) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID171914789
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccccc2S(=O)(=O)NC2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H23FN4O2S/c1-25-15-16(14-23-25)20-4-2-3-5-21(20)29(27,28)24-18-10-12-26(13-11-18)19-8-6-17(22)7-9-19/h2-9,14-15,18,24H,10-13H2,1H3
InChIKeyZMPRCESIIYBRCA-UHFFFAOYSA-N
XLogP3.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 171914789) is N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(-c2ccccc2S(=O)(=O)NC2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ZMPRCESIIYBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-25-15-16(14-23-25)20-4-2-3-5-21(20)29(27,28)24-18-10-12-26(13-11-18)19-8-6-17(22)7-9-19/h2-9,14-15,18,24H,10-13H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 171914789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).