5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

C19H22FN3O3S — CID 119376231

IUPAC5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(N)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3S/c1-13-2-3-14(19(24)23-10-8-16(21)9-11-23)12-18(13)27(25,26)22-17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11,21H2,1H3
InChIKeyYCGCEJOPRWWQNW-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.50
Rot. Bonds4

About 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide

5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 119376231) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID119376231
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(N)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3S/c1-13-2-3-14(19(24)23-10-8-16(21)9-11-23)12-18(13)27(25,26)22-17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11,21H2,1H3
InChIKeyYCGCEJOPRWWQNW-UHFFFAOYSA-N
XLogP2.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)-2-methylbenzenesulfonamide;hydrochloride
CID 119633999
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2441786
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
ethyl 1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 27555483
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide (CID 119376231) is 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCC(N)CC2)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is YCGCEJOPRWWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-2-3-14(19(24)23-10-8-16(21)9-11-23)12-18(13)27(25,26)22-17-6-4-15(20)5-7-17/h2-7,12,16,22H,8-11,21H2,1H3.
What are the key properties of 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide?
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 119376231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).