2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C15H12Cl2N2O2S2 — CID 3551628

IUPAC2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H12Cl2N2O2S2/c16-14-7-13(15(17)22-14)23(20,21)19-6-5-10-9-3-1-2-4-11(9)18-12(10)8-19/h1-4,7,18H,5-6,8H2
InChIKeyFFURBYGYHPALPI-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 3551628) has the molecular formula C15H12Cl2N2O2S2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID3551628
Molecular FormulaC15H12Cl2N2O2S2
Molecular Weight387.31 g/mol
Exact Mass385.97
IUPAC Name2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C15H12Cl2N2O2S2/c16-14-7-13(15(17)22-14)23(20,21)19-6-5-10-9-3-1-2-4-11(9)18-12(10)8-19/h1-4,7,18H,5-6,8H2
InChIKeyFFURBYGYHPALPI-UHFFFAOYSA-N
XLogP4.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chlorothiophen-2-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3862867
2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)benzonitrile
CID 23936331
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
2-(2,5-dichlorothiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114523736
2-(5-chlorothiophen-2-yl)sulfonyl-6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090151
1-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 113089922
6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 146387568
4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-2,1,3-benzothiadiazole
CID 24590337
2-naphthalen-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 16582503
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602975

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 3551628) is 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is O=S(=O)(c1cc(Cl)sc1Cl)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is FFURBYGYHPALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S2/c16-14-7-13(15(17)22-14)23(20,21)19-6-5-10-9-3-1-2-4-11(9)18-12(10)8-19/h1-4,7,18H,5-6,8H2.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 387.31 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 3551628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).