N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide

C22H27FN2O3S — CID 53103758

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C22H27FN2O3S/c1-16-3-8-21(17(2)15-16)29(27,28)24-12-9-18-10-13-25(14-11-18)22(26)19-4-6-20(23)7-5-19/h3-8,15,18,24H,9-14H2,1-2H3
InChIKeyIGZYCBBFVRTSIQ-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 53103758) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID53103758
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C22H27FN2O3S/c1-16-3-8-21(17(2)15-16)29(27,28)24-12-9-18-10-13-25(14-11-18)22(26)19-4-6-20(23)7-5-19/h3-8,15,18,24H,9-14H2,1-2H3
InChIKeyIGZYCBBFVRTSIQ-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103824
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 46379013
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
5-chloro-N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]thiophene-2-sulfonamide
CID 53103756
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 53103835
2,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103803
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
3,4-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103804
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide (CID 53103758) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is IGZYCBBFVRTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-16-3-8-21(17(2)15-16)29(27,28)24-12-9-18-10-13-25(14-11-18)22(26)19-4-6-20(23)7-5-19/h3-8,15,18,24H,9-14H2,1-2H3.
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 418.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 53103758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).