1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride

C15H20ClFN4O2S — CID 120586182

IUPAC1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)CCN1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-11-8-12(6-7-17-11)19-23(21,22)13-9-18-20(10-13)15-5-3-2-4-14(15)16;/h2-5,9-12,17,19H,6-8H2,1H3;1H
InChIKeyCIAGZTDJNFNDQO-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride

1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120586182) has the molecular formula C15H20ClFN4O2S and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120586182
Molecular FormulaC15H20ClFN4O2S
Molecular Weight374.87 g/mol
Exact Mass374.10
IUPAC Name1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
SMILESCC1CC(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)CCN1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-11-8-12(6-7-17-11)19-23(21,22)13-9-18-20(10-13)15-5-3-2-4-14(15)16;/h2-5,9-12,17,19H,6-8H2,1H3;1H
InChIKeyCIAGZTDJNFNDQO-UHFFFAOYSA-N
XLogP1.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride (CID 120586182) is 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride is CC1CC(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)CCN1.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is CIAGZTDJNFNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S.ClH/c1-11-8-12(6-7-17-11)19-23(21,22)13-9-18-20(10-13)15-5-3-2-4-14(15)16;/h2-5,9-12,17,19H,6-8H2,1H3;1H.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride?
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120586182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).