N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride

C18H20ClF2N3O3S — CID 119379589

IUPACN-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-12-7-8-15(20)17(10-12)27(25,26)22-16-6-2-1-5-14(16)18(24)23-9-3-4-13(21)11-23;/h1-2,5-8,10,13,22H,3-4,9,11,21H2;1H
InChIKeyCUPGIWFZWWGKFQ-UHFFFAOYSA-N
MW431.89 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride

N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride (PubChem CID 119379589) has the molecular formula C18H20ClF2N3O3S and a molecular weight of 431.89 g/mol. Its IUPAC name is N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
PubChem CID119379589
Molecular FormulaC18H20ClF2N3O3S
Molecular Weight431.89 g/mol
Exact Mass431.09
IUPAC NameN-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-12-7-8-15(20)17(10-12)27(25,26)22-16-6-2-1-5-14(16)18(24)23-9-3-4-13(21)11-23;/h1-2,5-8,10,13,22H,3-4,9,11,21H2;1H
InChIKeyCUPGIWFZWWGKFQ-UHFFFAOYSA-N
XLogP2.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,4-diazepane-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119416519
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 119378826
N-[2-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119378827
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
N-[2-(3-ethylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 51096518
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
4-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide;hydrochloride
CID 119381064

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride (CID 119379589) is N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride is Cl.NC1CCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
The InChIKey is CUPGIWFZWWGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S.ClH/c19-12-7-8-15(20)17(10-12)27(25,26)22-16-6-2-1-5-14(16)18(24)23-9-3-4-13(21)11-23;/h1-2,5-8,10,13,22H,3-4,9,11,21H2;1H.
What are the key properties of N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride?
N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119379589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).