2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline

C20H21ClN4O2S — CID 2808993

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline
SMILESCCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN4O2S/c1-2-17-20(23-19-6-4-3-5-18(19)22-17)24-11-13-25(14-12-24)28(26,27)16-9-7-15(21)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyNAWAKEPFBRXTOB-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.36
Rot. Bonds4

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline (PubChem CID 2808993) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline
PubChem CID2808993
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline
SMILESCCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN4O2S/c1-2-17-20(23-19-6-4-3-5-18(19)22-17)24-11-13-25(14-12-24)28(26,27)16-9-7-15(21)8-10-16/h3-10H,2,11-14H2,1H3
InChIKeyNAWAKEPFBRXTOB-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
4-chloro-N-{3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1325905
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2096996
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
3-[(3-{[(4-Chlorophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]benzenesulfonamide
CID 5202109
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
3-chloro-N-[(2Z)-3-[(2-hydroxyethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
CID 666061
3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 666487
4-chloro-N-{3-[4-(2-pyridinyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1253223
[3-(3-Benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(4-chlorophenyl)sulfonylazanide
CID 1390207
[(4-chlorophenyl)sulfonyl]{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide
CID 1420601

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline (CID 2808993) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline is CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline?
The InChIKey is NAWAKEPFBRXTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-2-17-20(23-19-6-4-3-5-18(19)22-17)24-11-13-25(14-12-24)28(26,27)16-9-7-15(21)8-10-16/h3-10H,2,11-14H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline has a molecular weight of 416.93 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-ethylquinoxaline is sourced from PubChem (CID 2808993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).