1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol

C15H14ClNO3S — CID 110636408

IUPAC1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1ccccc1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C15H14ClNO3S/c16-11-6-7-14-13(10-11)15(18)8-9-17(14)21(19,20)12-4-2-1-3-5-12/h1-7,10,15,18H,8-9H2
InChIKeyZFLOIDNGPLVDJA-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.97
Rot. Bonds2

About 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol

1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636408) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636408
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
SMILESO=S(=O)(c1ccccc1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C15H14ClNO3S/c16-11-6-7-14-13(10-11)15(18)8-9-17(14)21(19,20)12-4-2-1-3-5-12/h1-7,10,15,18H,8-9H2
InChIKeyZFLOIDNGPLVDJA-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636432
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
6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110636448
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636585
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636873
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
4-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110636364
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
CID 110636324

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol (CID 110636408) is 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol is O=S(=O)(c1ccccc1)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZFLOIDNGPLVDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-11-6-7-14-13(10-11)15(18)8-9-17(14)21(19,20)12-4-2-1-3-5-12/h1-7,10,15,18H,8-9H2.
What are the key properties of 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol?
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 323.80 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).