4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide

C18H14N2O4S2 — CID 67447501

IUPAC4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C18H14N2O4S2/c1-19-26(23,24)11-4-2-10(3-5-11)15-14(21)7-6-13-16(15)12-8-9-25-17(12)18(22)20-13/h2-9,19,21H,1H3,(H,20,22)
InChIKeyVOLQCHAQJFJZFL-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.02
Rot. Bonds3

About 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide

4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide (PubChem CID 67447501) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
PubChem CID67447501
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C18H14N2O4S2/c1-19-26(23,24)11-4-2-10(3-5-11)15-14(21)7-6-13-16(15)12-8-9-25-17(12)18(22)20-13/h2-9,19,21H,1H3,(H,20,22)
InChIKeyVOLQCHAQJFJZFL-UHFFFAOYSA-N
XLogP3.02
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide with MolForge

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Related Compounds

9-[4-(5,5-dimethylhexylsulfonyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 123910794
N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
CID 67450562
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
8-hydroxy-9-[4-[1-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 88898499
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzonitrile
CID 67449491
8-hydroxy-9-[4-[(propan-2-ylideneamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 123968671
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385
9-[4-[2-(diethylamino)propyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449420
N-ethyl-N-[2-[4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenoxy]ethyl]methanesulfonamide
CID 122549683
N-(3,3-dimethylbutyl)-4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzenesulfonamide
CID 67450016
2-[[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]sulfonylamino]ethyl methanesulfonate
CID 86689549

Frequently Asked Questions

What is the IUPAC name of 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide (CID 67447501) is 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide?
The InChIKey is VOLQCHAQJFJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c1-19-26(23,24)11-4-2-10(3-5-11)15-14(21)7-6-13-16(15)12-8-9-25-17(12)18(22)20-13/h2-9,19,21H,1H3,(H,20,22).
What are the key properties of 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide?
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 67447501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).