1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide

C18H24F2N4O2S — CID 19615081

IUPAC1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)NCc1ccccc1N1CCC(C)CC1
InChIInChI=1S/C18H24F2N4O2S/c1-13-7-9-23(10-8-13)16-6-4-3-5-15(16)11-21-27(25,26)17-12-24(18(19)20)22-14(17)2/h3-6,12-13,18,21H,7-11H2,1-2H3
InChIKeyFSENFXPISIHGCA-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.30
Rot. Bonds6

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

1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 19615081) has the molecular formula C18H24F2N4O2S and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID19615081
Molecular FormulaC18H24F2N4O2S
Molecular Weight398.48 g/mol
Exact Mass398.16
IUPAC Name1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)NCc1ccccc1N1CCC(C)CC1
InChIInChI=1S/C18H24F2N4O2S/c1-13-7-9-23(10-8-13)16-6-4-3-5-15(16)11-21-27(25,26)17-12-24(18(19)20)22-14(17)2/h3-6,12-13,18,21H,7-11H2,1-2H3
InChIKeyFSENFXPISIHGCA-UHFFFAOYSA-N
XLogP3.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.30
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-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide (CID 19615081) is 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)NCc1ccccc1N1CCC(C)CC1.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FSENFXPISIHGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O2S/c1-13-7-9-23(10-8-13)16-6-4-3-5-15(16)11-21-27(25,26)17-12-24(18(19)20)22-14(17)2/h3-6,12-13,18,21H,7-11H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.30, 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-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19615081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).