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

C16H23ClN4O4S — CID 119576619

IUPAC3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
SMILESCC1CN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl
InChIInChI=1S/C16H22N4O4S.ClH/c1-11-9-19(6-5-18-11)16(22)12-7-15(21)20(10-12)13-3-2-4-14(8-13)25(17,23)24;/h2-4,8,11-12,18H,5-7,9-10H2,1H3,(H2,17,23,24);1H
InChIKeyQQRCWJKZNQOVNQ-UHFFFAOYSA-N
MW402.90 g/mol
LogP-0.07
Rot. Bonds3

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

3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride (PubChem CID 119576619) has the molecular formula C16H23ClN4O4S and a molecular weight of 402.90 g/mol. Its IUPAC name is 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
PubChem CID119576619
Molecular FormulaC16H23ClN4O4S
Molecular Weight402.90 g/mol
Exact Mass402.11
IUPAC Name3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
SMILESCC1CN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl
InChIInChI=1S/C16H22N4O4S.ClH/c1-11-9-19(6-5-18-11)16(22)12-7-15(21)20(10-12)13-3-2-4-14(8-13)25(17,23)24;/h2-4,8,11-12,18H,5-7,9-10H2,1H3,(H2,17,23,24);1H
InChIKeyQQRCWJKZNQOVNQ-UHFFFAOYSA-N
XLogP-0.07
TPSA112.81 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 ≤ 5-0.07
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-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119377534
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
N-(2-methylpiperidin-4-yl)-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120599023
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
N-[3-(methylamino)propyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119429878
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249569
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 174964651
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119565139
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride (CID 119576619) is 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride is CC1CN(C(=O)C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCN1.Cl.
What is the InChIKey of 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
The InChIKey is QQRCWJKZNQOVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S.ClH/c1-11-9-19(6-5-18-11)16(22)12-7-15(21)20(10-12)13-3-2-4-14(8-13)25(17,23)24;/h2-4,8,11-12,18H,5-7,9-10H2,1H3,(H2,17,23,24);1H.
What are the key properties of 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride?
3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride has a molecular weight of 402.90 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119576619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).