2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid

C17H16ClNO5S — CID 39832528

IUPAC2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H16ClNO5S/c18-13-3-8-16-12(10-13)2-1-9-19(16)25(22,23)15-6-4-14(5-7-15)24-11-17(20)21/h3-8,10H,1-2,9,11H2,(H,20,21)
InChIKeySMZRGYHIQIERND-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid

2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid (PubChem CID 39832528) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid
PubChem CID39832528
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H16ClNO5S/c18-13-3-8-16-12(10-13)2-1-9-19(16)25(22,23)15-6-4-14(5-7-15)24-11-17(20)21/h3-8,10H,1-2,9,11H2,(H,20,21)
InChIKeySMZRGYHIQIERND-UHFFFAOYSA-N
XLogP2.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126397249
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126394713
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126396736
1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770223
N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770361
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid (CID 39832528) is 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid?
The InChIKey is SMZRGYHIQIERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c18-13-3-8-16-12(10-13)2-1-9-19(16)25(22,23)15-6-4-14(5-7-15)24-11-17(20)21/h3-8,10H,1-2,9,11H2,(H,20,21).
What are the key properties of 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid?
2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid has a molecular weight of 381.84 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid is sourced from PubChem (CID 39832528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).