N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

C18H26FN3O3S — CID 119732695

IUPACN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESNC1CCCC(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FN3O3S/c19-14-4-6-17(7-5-14)26(24,25)21-16-8-10-22(11-9-16)18(23)13-2-1-3-15(20)12-13/h4-7,13,15-16,21H,1-3,8-12,20H2
InChIKeyLIYBQNALTJHCTF-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.61
Rot. Bonds4

About N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide

N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 119732695) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID119732695
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
SMILESNC1CCCC(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H26FN3O3S/c19-14-4-6-17(7-5-14)26(24,25)21-16-8-10-22(11-9-16)18(23)13-2-1-3-15(20)12-13/h4-7,13,15-16,21H,1-3,8-12,20H2
InChIKeyLIYBQNALTJHCTF-UHFFFAOYSA-N
XLogP1.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710030
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732732
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
4-bromo-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563657
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
4-fluoro-N-[1-(morpholine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119732712
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide (CID 119732695) is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is NC1CCCC(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is LIYBQNALTJHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c19-14-4-6-17(7-5-14)26(24,25)21-16-8-10-22(11-9-16)18(23)13-2-1-3-15(20)12-13/h4-7,13,15-16,21H,1-3,8-12,20H2.
What are the key properties of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide?
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 119732695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).