N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

C18H20FN3O3S — CID 119374441

IUPACN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESNC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-14-3-7-17(8-4-14)26(24,25)21-16-5-1-13(2-6-16)18(23)22-11-9-15(20)10-12-22/h1-8,15,21H,9-12,20H2
InChIKeyUYXBZXRSOSMHDD-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.19
Rot. Bonds4

About N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 119374441) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID119374441
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESNC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-14-3-7-17(8-4-14)26(24,25)21-16-5-1-13(2-6-16)18(23)22-11-9-15(20)10-12-22/h1-8,15,21H,9-12,20H2
InChIKeyUYXBZXRSOSMHDD-UHFFFAOYSA-N
XLogP2.19
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (CID 119374441) is N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is NC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is UYXBZXRSOSMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-14-3-7-17(8-4-14)26(24,25)21-16-5-1-13(2-6-16)18(23)22-11-9-15(20)10-12-22/h1-8,15,21H,9-12,20H2.
What are the key properties of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 119374441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).