2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

C16H13ClNO4S- — CID 2342108

IUPAC2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClNO4S/c17-14-8-7-12(10-13(14)16(19)20)23(21,22)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)/p-1
InChIKeyAUVOCPZNUNQWPA-UHFFFAOYSA-M
MW350.80 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (PubChem CID 2342108) has the molecular formula C16H13ClNO4S- and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
PubChem CID2342108
Molecular FormulaC16H13ClNO4S-
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClNO4S/c17-14-8-7-12(10-13(14)16(19)20)23(21,22)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)/p-1
InChIKeyAUVOCPZNUNQWPA-UHFFFAOYSA-M
XLogP1.85
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
N-butyl-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 18106238
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
CID 169367214
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16571218
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-nitrobenzamide
CID 23119858
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (CID 2342108) is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is O=C([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The InChIKey is AUVOCPZNUNQWPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14ClNO4S/c17-14-8-7-12(10-13(14)16(19)20)23(21,22)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9H2,(H,19,20)/p-1.
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate has a molecular weight of 350.80 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).