1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide

C17H22F2N4O2S — CID 46972181

IUPAC1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C17H22F2N4O2S/c1-13-16(12-23(20-13)17(18)19)26(24,25)21-15-8-4-3-7-14(15)11-22-9-5-2-6-10-22/h3-4,7-8,12,17,21H,2,5-6,9-11H2,1H3
InChIKeyFZERXSJXRCVJSO-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.37
Rot. Bonds6

About 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 46972181) has the molecular formula C17H22F2N4O2S and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID46972181
Molecular FormulaC17H22F2N4O2S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C17H22F2N4O2S/c1-13-16(12-23(20-13)17(18)19)26(24,25)21-15-8-4-3-7-14(15)11-22-9-5-2-6-10-22/h3-4,7-8,12,17,21H,2,5-6,9-11H2,1H3
InChIKeyFZERXSJXRCVJSO-UHFFFAOYSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide (CID 46972181) is 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)Nc1ccccc1CN1CCCCC1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is FZERXSJXRCVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2S/c1-13-16(12-23(20-13)17(18)19)26(24,25)21-15-8-4-3-7-14(15)11-22-9-5-2-6-10-22/h3-4,7-8,12,17,21H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 384.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 46972181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).