3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride

C16H23ClN4O4S — CID 119377534

IUPAC3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1
InChIInChI=1S/C16H22N4O4S.ClH/c17-12-3-2-6-19(10-12)16(22)11-7-15(21)20(9-11)13-4-1-5-14(8-13)25(18,23)24;/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H2,18,23,24);1H
InChIKeyOYIIYFUSMPBOJC-UHFFFAOYSA-N
MW402.90 g/mol
LogP0.06
Rot. Bonds3

About 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride

3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride (PubChem CID 119377534) has the molecular formula C16H23ClN4O4S and a molecular weight of 402.90 g/mol. Its IUPAC name is 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
PubChem CID119377534
Molecular FormulaC16H23ClN4O4S
Molecular Weight402.90 g/mol
Exact Mass402.11
IUPAC Name3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1
InChIInChI=1S/C16H22N4O4S.ClH/c17-12-3-2-6-19(10-12)16(22)11-7-15(21)20(9-11)13-4-1-5-14(8-13)25(18,23)24;/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H2,18,23,24);1H
InChIKeyOYIIYFUSMPBOJC-UHFFFAOYSA-N
XLogP0.06
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588
3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125119424
3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119576619
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119565139
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride (CID 119377534) is 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride is Cl.NC1CCCN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1.
What is the InChIKey of 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The InChIKey is OYIIYFUSMPBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S.ClH/c17-12-3-2-6-19(10-12)16(22)11-7-15(21)20(9-11)13-4-1-5-14(8-13)25(18,23)24;/h1,4-5,8,11-12H,2-3,6-7,9-10,17H2,(H2,18,23,24);1H.
What are the key properties of 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride has a molecular weight of 402.90 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119377534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).