N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide

C11H16F2N4O3S — CID 72890526

IUPACN-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C11H16F2N4O3S/c1-21(19,20)15-8-2-5-16(6-3-8)10(18)9-4-7-17(14-9)11(12)13/h4,7-8,11,15H,2-3,5-6H2,1H3
InChIKeyCFRBHNIQIUJFMK-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.43
Rot. Bonds4

About N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 72890526) has the molecular formula C11H16F2N4O3S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID72890526
Molecular FormulaC11H16F2N4O3S
Molecular Weight322.34 g/mol
Exact Mass322.09
IUPAC NameN-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C11H16F2N4O3S/c1-21(19,20)15-8-2-5-16(6-3-8)10(18)9-4-7-17(14-9)11(12)13/h4,7-8,11,15H,2-3,5-6H2,1H3
InChIKeyCFRBHNIQIUJFMK-UHFFFAOYSA-N
XLogP0.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide (CID 72890526) is N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2ccn(C(F)F)n2)CC1.
What is the InChIKey of N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is CFRBHNIQIUJFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3S/c1-21(19,20)15-8-2-5-16(6-3-8)10(18)9-4-7-17(14-9)11(12)13/h4,7-8,11,15H,2-3,5-6H2,1H3.
What are the key properties of N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 72890526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).