N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

C19H23N3O3S — CID 119375343

IUPACN-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-6-8-16(9-7-14)26(24,25)21-18-5-3-2-4-17(18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3
InChIKeyXBHCUDWCNRHLCQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 119375343) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID119375343
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-6-8-16(9-7-14)26(24,25)21-18-5-3-2-4-17(18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3
InChIKeyXBHCUDWCNRHLCQ-UHFFFAOYSA-N
XLogP2.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
N-[2-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]benzenesulfonamide
CID 119374273
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119411385
4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368483
N-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119484526
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 119375343) is N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is XBHCUDWCNRHLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-6-8-16(9-7-14)26(24,25)21-18-5-3-2-4-17(18)19(23)22-12-10-15(20)11-13-22/h2-9,15,21H,10-13,20H2,1H3.
What are the key properties of N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 119375343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).