6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol

C13H12ClNO3S2 — CID 110636432

IUPAC6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1cccs1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C13H12ClNO3S2/c14-9-3-4-11-10(8-9)12(16)5-6-15(11)20(17,18)13-2-1-7-19-13/h1-4,7-8,12,16H,5-6H2
InChIKeyAVDSYVKYSRWQAW-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.03
Rot. Bonds2

About 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol

6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636432) has the molecular formula C13H12ClNO3S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636432
Molecular FormulaC13H12ClNO3S2
Molecular Weight329.83 g/mol
Exact Mass328.99
IUPAC Name6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1cccs1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C13H12ClNO3S2/c14-9-3-4-11-10(8-9)12(16)5-6-15(11)20(17,18)13-2-1-7-19-13/h1-4,7-8,12,16H,5-6H2
InChIKeyAVDSYVKYSRWQAW-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
1-thiophen-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104538378
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110636453
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110636448
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007669
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007670
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636432) is 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol is O=S(=O)(c1cccs1)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is AVDSYVKYSRWQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S2/c14-9-3-4-11-10(8-9)12(16)5-6-15(11)20(17,18)13-2-1-7-19-13/h1-4,7-8,12,16H,5-6H2.
What are the key properties of 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol?
6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 329.83 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).