2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide

C16H22F2N2O3S — CID 52767566

IUPAC2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)CC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H22F2N2O3S/c1-11(2)9-16(21)20-7-5-13(6-8-20)19-24(22,23)15-10-12(17)3-4-14(15)18/h3-4,10-11,13,19H,5-9H2,1-2H3
InChIKeyLXVAOGHYMOATTK-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.28
Rot. Bonds5

About 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide

2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 52767566) has the molecular formula C16H22F2N2O3S and a molecular weight of 360.43 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID52767566
Molecular FormulaC16H22F2N2O3S
Molecular Weight360.43 g/mol
Exact Mass360.13
IUPAC Name2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)CC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H22F2N2O3S/c1-11(2)9-16(21)20-7-5-13(6-8-20)19-24(22,23)15-10-12(17)3-4-14(15)18/h3-4,10-11,13,19H,5-9H2,1-2H3
InChIKeyLXVAOGHYMOATTK-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55960755
1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 56662133
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
1-[4-[4-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305587
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide (CID 52767566) is 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide is CC(C)CC(=O)N1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is LXVAOGHYMOATTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S/c1-11(2)9-16(21)20-7-5-13(6-8-20)19-24(22,23)15-10-12(17)3-4-14(15)18/h3-4,10-11,13,19H,5-9H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide?
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 360.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 52767566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).