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

C18H14N2O5S2 — CID 67450562

IUPACN-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O
InChIInChI=1S/C18H14N2O5S2/c1-27(24,25)20-11-3-2-9(8-14(11)22)15-13(21)5-4-12-16(15)10-6-7-26-17(10)18(23)19-12/h2-8,20-22H,1H3,(H,19,23)
InChIKeyYJXHWAFWZCMTHP-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.19
Rot. Bonds3

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

N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide (PubChem CID 67450562) has the molecular formula C18H14N2O5S2 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
PubChem CID67450562
Molecular FormulaC18H14N2O5S2
Molecular Weight402.45 g/mol
Exact Mass402.03
IUPAC NameN-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O
InChIInChI=1S/C18H14N2O5S2/c1-27(24,25)20-11-3-2-9(8-14(11)22)15-13(21)5-4-12-16(15)10-6-7-26-17(10)18(23)19-12/h2-8,20-22H,1H3,(H,19,23)
InChIKeyYJXHWAFWZCMTHP-UHFFFAOYSA-N
XLogP3.19
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67447501
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-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472668
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447133
4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzonitrile
CID 67449491
9-[4-(5,5-dimethylhexylsulfonyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 123910794
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448290
8-hydroxy-9-[4-[(propan-2-ylideneamino)methyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 123968671
N-(2-bromoethyl)-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-N-methylbenzenesulfonamide
CID 67450781
9-[4-(2-aminoethyl)phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67448385
8-hydroxy-4-oxo-9-[4-[(sulfinatoamino)methyl]phenyl]-5H-thieno[2,3-c]quinoline
CID 118234989
N-ethyl-N-[2-[4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenoxy]ethyl]methanesulfonamide
CID 122549683

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide (CID 67450562) is N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1O.
What is the InChIKey of N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide?
The InChIKey is YJXHWAFWZCMTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S2/c1-27(24,25)20-11-3-2-9(8-14(11)22)15-13(21)5-4-12-16(15)10-6-7-26-17(10)18(23)19-12/h2-8,20-22H,1H3,(H,19,23).
What are the key properties of N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide?
N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide has a molecular weight of 402.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-(8-hydroxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 67450562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).