N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide

C22H23ClN4O4S — CID 46275029

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN4O4S/c23-17-2-1-3-18(15-17)26-10-12-27(13-11-26)22(29)8-9-24-32(30,31)19-5-6-20-16(14-19)4-7-21(28)25-20/h1-7,14-15,24H,8-13H2,(H,25,28)
InChIKeyWWQZVDPSUFPHIQ-UHFFFAOYSA-N
MW474.97 g/mol
LogP2.20
Rot. Bonds6

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 46275029) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID46275029
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H23ClN4O4S/c23-17-2-1-3-18(15-17)26-10-12-27(13-11-26)22(29)8-9-24-32(30,31)19-5-6-20-16(14-19)4-7-21(28)25-20/h1-7,14-15,24H,8-13H2,(H,25,28)
InChIKeyWWQZVDPSUFPHIQ-UHFFFAOYSA-N
XLogP2.20
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 33233825
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46275060
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 31688731
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076
N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
N-(2-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275018
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide (CID 46275029) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide is O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is WWQZVDPSUFPHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c23-17-2-1-3-18(15-17)26-10-12-27(13-11-26)22(29)8-9-24-32(30,31)19-5-6-20-16(14-19)4-7-21(28)25-20/h1-7,14-15,24H,8-13H2,(H,25,28).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 474.97 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46275029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).