1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline

C19H19ClN4O2S — CID 7528908

IUPAC1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCC[C@H](C)N1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C19H19ClN4O2S/c1-3-13(2)23-12-24(27(25,26)15-10-8-14(20)9-11-15)19-18(23)21-16-6-4-5-7-17(16)22-19/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyBLNWQWINHKIDFW-ZDUSSCGKSA-N
MW402.91 g/mol
LogP4.05
Rot. Bonds4

About 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline

1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 7528908) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID7528908
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCC[C@H](C)N1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C19H19ClN4O2S/c1-3-13(2)23-12-24(27(25,26)15-10-8-14(20)9-11-15)19-18(23)21-16-6-4-5-7-17(16)22-19/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyBLNWQWINHKIDFW-ZDUSSCGKSA-N
XLogP4.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 7528908) is 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is CC[C@H](C)N1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is BLNWQWINHKIDFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-3-13(2)23-12-24(27(25,26)15-10-8-14(20)9-11-15)19-18(23)21-16-6-4-5-7-17(16)22-19/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 402.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 7528908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).