N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

C20H24FN3O3S — CID 38814852

IUPACN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-23(2)18-7-3-15(4-8-18)20(25)24-13-11-17(12-14-24)22-28(26,27)19-9-5-16(21)6-10-19/h3-10,17,22H,11-14H2,1-2H3
InChIKeyXEGOFMIMWURYSV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.47
Rot. Bonds5

About N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 38814852) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID38814852
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O3S/c1-23(2)18-7-3-15(4-8-18)20(25)24-13-11-17(12-14-24)22-28(26,27)19-9-5-16(21)6-10-19/h3-10,17,22H,11-14H2,1-2H3
InChIKeyXEGOFMIMWURYSV-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
N-[1-(5-bromo-3-methylfuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511603
4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 34345375

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 38814852) is N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is CN(C)c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is XEGOFMIMWURYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-23(2)18-7-3-15(4-8-18)20(25)24-13-11-17(12-14-24)22-28(26,27)19-9-5-16(21)6-10-19/h3-10,17,22H,11-14H2,1-2H3.
What are the key properties of N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 38814852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).