(2-methoxyphenyl) quinoline-8-sulfonate

C16H13NO4S — CID 15944591

IUPAC(2-methoxyphenyl) quinoline-8-sulfonate
SMILESCOc1ccccc1OS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H13NO4S/c1-20-13-8-2-3-9-14(13)21-22(18,19)15-10-4-6-12-7-5-11-17-16(12)15/h2-11H,1H3
InChIKeyYECZAJBSICGSCF-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.01
Rot. Bonds4

About (2-methoxyphenyl) quinoline-8-sulfonate

(2-methoxyphenyl) quinoline-8-sulfonate (PubChem CID 15944591) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is (2-methoxyphenyl) quinoline-8-sulfonate.

Molecular Properties

Compound Name(2-methoxyphenyl) quinoline-8-sulfonate
PubChem CID15944591
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name(2-methoxyphenyl) quinoline-8-sulfonate
SMILESCOc1ccccc1OS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H13NO4S/c1-20-13-8-2-3-9-14(13)21-22(18,19)15-10-4-6-12-7-5-11-17-16(12)15/h2-11H,1H3
InChIKeyYECZAJBSICGSCF-UHFFFAOYSA-N
XLogP3.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(2-methoxyphenyl) 2-bromobenzenesulfonate
CID 26946778
(2-methoxyphenyl) 2-chlorobenzenesulfonate
CID 26946769
2-(4-methoxyphenyl)ethyl quinoline-8-sulfonate
CID 102369873
quinolin-8-yl 2,6-difluorobenzenesulfonate
CID 30325132
methyl N'-quinolin-8-ylsulfonylcarbamimidate
CID 4663041
8-methylsulfanylsulfonylquinoline
CID 913226
4-methoxy-3-(quinolin-8-ylsulfonylmethyl)-1,2-benzoxazole
CID 158979164
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
(2-methylquinolin-8-yl) 8-methylquinoline-5-sulfonate
CID 52565528

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) quinoline-8-sulfonate?
The IUPAC name of (2-methoxyphenyl) quinoline-8-sulfonate (CID 15944591) is (2-methoxyphenyl) quinoline-8-sulfonate.
What is the SMILES notation for (2-methoxyphenyl) quinoline-8-sulfonate?
The canonical SMILES for (2-methoxyphenyl) quinoline-8-sulfonate is COc1ccccc1OS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (2-methoxyphenyl) quinoline-8-sulfonate?
The InChIKey is YECZAJBSICGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-20-13-8-2-3-9-14(13)21-22(18,19)15-10-4-6-12-7-5-11-17-16(12)15/h2-11H,1H3.
What are the key properties of (2-methoxyphenyl) quinoline-8-sulfonate?
(2-methoxyphenyl) quinoline-8-sulfonate has a molecular weight of 315.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) quinoline-8-sulfonate is sourced from PubChem (CID 15944591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).