N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide

C19H14N2O5S — CID 136631431

IUPACN-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1oc(-c2ccnc3ccccc23)c(O)c1O)c1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-16-17(23)19(21-27(24,25)12-6-2-1-3-7-12)26-18(16)14-10-11-20-15-9-5-4-8-13(14)15/h1-11,21-23H
InChIKeyNTSPOEJYQIFGRN-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.71
Rot. Bonds4

About N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide

N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide (PubChem CID 136631431) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide
PubChem CID136631431
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC NameN-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1oc(-c2ccnc3ccccc23)c(O)c1O)c1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-16-17(23)19(21-27(24,25)12-6-2-1-3-7-12)26-18(16)14-10-11-20-15-9-5-4-8-13(14)15/h1-11,21-23H
InChIKeyNTSPOEJYQIFGRN-UHFFFAOYSA-N
XLogP3.71
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide (CID 136631431) is N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide is O=S(=O)(Nc1oc(-c2ccnc3ccccc23)c(O)c1O)c1ccccc1.
What is the InChIKey of N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide?
The InChIKey is NTSPOEJYQIFGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c22-16-17(23)19(21-27(24,25)12-6-2-1-3-7-12)26-18(16)14-10-11-20-15-9-5-4-8-13(14)15/h1-11,21-23H.
What are the key properties of N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide?
N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 136631431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).