N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide

C16H20F2N4O2S — CID 124852288

IUPACN-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C16H20F2N4O2S/c1-25(23,24)20-14-3-2-7-21(11-14)10-13-6-8-22(19-13)16-5-4-12(17)9-15(16)18/h4-6,8-9,14,20H,2-3,7,10-11H2,1H3/t14-/m0/s1
InChIKeyUOARWZWRRZRIHE-AWEZNQCLSA-N
MW370.43 g/mol
LogP1.66
Rot. Bonds5

About N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 124852288) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide
PubChem CID124852288
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1
InChIInChI=1S/C16H20F2N4O2S/c1-25(23,24)20-14-3-2-7-21(11-14)10-13-6-8-22(19-13)16-5-4-12(17)9-15(16)18/h4-6,8-9,14,20H,2-3,7,10-11H2,1H3/t14-/m0/s1
InChIKeyUOARWZWRRZRIHE-AWEZNQCLSA-N
XLogP1.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide (CID 124852288) is N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1.
What is the InChIKey of N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is UOARWZWRRZRIHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c1-25(23,24)20-14-3-2-7-21(11-14)10-13-6-8-22(19-13)16-5-4-12(17)9-15(16)18/h4-6,8-9,14,20H,2-3,7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 124852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).