2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide

C21H24F2N2O3S — CID 53103824

IUPAC2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-15-2-4-17(5-3-15)21(26)25-12-9-16(10-13-25)8-11-24-29(27,28)20-14-18(22)6-7-19(20)23/h2-7,14,16,24H,8-13H2,1H3
InChIKeyJRAITUPADOVRLT-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.49
Rot. Bonds6

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

2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (PubChem CID 53103824) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
PubChem CID53103824
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-15-2-4-17(5-3-15)21(26)25-12-9-16(10-13-25)8-11-24-29(27,28)20-14-18(22)6-7-19(20)23/h2-7,14,16,24H,8-13H2,1H3
InChIKeyJRAITUPADOVRLT-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
CID 53103756
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]cyclohexanecarboxamide
CID 46378930

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide (CID 53103824) is 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is JRAITUPADOVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-15-2-4-17(5-3-15)21(26)25-12-9-16(10-13-25)8-11-24-29(27,28)20-14-18(22)6-7-19(20)23/h2-7,14,16,24H,8-13H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 422.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53103824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).