N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C21H21ClN4O3S — CID 1090839

IUPACN-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C21H21ClN4O3S/c1-15(27)24-17-3-5-18(6-4-17)30(28,29)26-12-10-25(11-13-26)21-8-9-23-20-14-16(22)2-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyGFHLFZXXDFZLMR-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.36
Rot. Bonds4

About N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1090839) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1090839
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC NameN-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C21H21ClN4O3S/c1-15(27)24-17-3-5-18(6-4-17)30(28,29)26-12-10-25(11-13-26)21-8-9-23-20-14-16(22)2-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,24,27)
InChIKeyGFHLFZXXDFZLMR-UHFFFAOYSA-N
XLogP3.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1090839) is N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is GFHLFZXXDFZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c1-15(27)24-17-3-5-18(6-4-17)30(28,29)26-12-10-25(11-13-26)21-8-9-23-20-14-16(22)2-7-19(20)21/h2-9,14H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 444.94 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).