N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide

C18H20F2N4O3S — CID 133359449

IUPACN-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C18H20F2N4O3S/c1-12(25)22-13-6-8-24(9-7-13)18-5-3-15(11-21-18)28(26,27)23-14-2-4-16(19)17(20)10-14/h2-5,10-11,13,23H,6-9H2,1H3,(H,22,25)
InChIKeyDPQOKVBQPHSNNP-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.27
Rot. Bonds5

About N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide

N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 133359449) has the molecular formula C18H20F2N4O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID133359449
Molecular FormulaC18H20F2N4O3S
Molecular Weight410.45 g/mol
Exact Mass410.12
IUPAC NameN-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1
InChIInChI=1S/C18H20F2N4O3S/c1-12(25)22-13-6-8-24(9-7-13)18-5-3-15(11-21-18)28(26,27)23-14-2-4-16(19)17(20)10-14/h2-5,10-11,13,23H,6-9H2,1H3,(H,22,25)
InChIKeyDPQOKVBQPHSNNP-UHFFFAOYSA-N
XLogP2.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133359177
1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052446
6-(4-but-3-ynylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133453619
N-(3,4-difluorophenyl)-6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 133452352
N-(3,4-difluorophenyl)-6-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133448325
N-(3,4-difluorophenyl)-6-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133355188
N-(3,4-difluorophenyl)-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133359164
N-[1-[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 133354657
N-(3,4-difluorophenyl)-6-[(2-hydroxycyclohexyl)amino]pyridine-3-sulfonamide
CID 133354555
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
N-(3,4-difluorophenyl)-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
CID 133359510
N-(3,4-difluorophenyl)-6-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-sulfonamide
CID 133355185

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide (CID 133359449) is N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn2)CC1.
What is the InChIKey of N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is DPQOKVBQPHSNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3S/c1-12(25)22-13-6-8-24(9-7-13)18-5-3-15(11-21-18)28(26,27)23-14-2-4-16(19)17(20)10-14/h2-5,10-11,13,23H,6-9H2,1H3,(H,22,25).
What are the key properties of N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide?
N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 410.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 133359449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).