1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C16H13ClN2O2S2 — CID 20996409

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(Cl)s1)CC3
InChIInChI=1S/C16H13ClN2O2S2/c1-10-3-2-4-11-9-12-7-8-19(16(12)18-15(10)11)23(20,21)14-6-5-13(17)22-14/h2-6,9H,7-8H2,1H3
InChIKeyKLILIKFFTUINKZ-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.01
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996409) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996409
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(Cl)s1)CC3
InChIInChI=1S/C16H13ClN2O2S2/c1-10-3-2-4-11-9-12-7-8-19(16(12)18-15(10)11)23(20,21)14-6-5-13(17)22-14/h2-6,9H,7-8H2,1H3
InChIKeyKLILIKFFTUINKZ-UHFFFAOYSA-N
XLogP4.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996400
1-(2,4-dimethoxyphenyl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996401
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 60563458
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60676123
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 26539789

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996409) is 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(Cl)s1)CC3.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is KLILIKFFTUINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c1-10-3-2-4-11-9-12-7-8-19(16(12)18-15(10)11)23(20,21)14-6-5-13(17)22-14/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 364.88 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).