N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

C17H16N2O4S — CID 16804877

IUPACN-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)Nc3ccc(O)cc3)cc12
InChIInChI=1S/C17H16N2O4S/c1-10-8-16(21)18-17-11(2)7-14(9-15(10)17)24(22,23)19-12-3-5-13(20)6-4-12/h3-9,19-20H,1-2H3,(H,18,21)
InChIKeyMQNOBIWPFJCCAL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.65
Rot. Bonds3

About N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 16804877) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID16804877
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)Nc3ccc(O)cc3)cc12
InChIInChI=1S/C17H16N2O4S/c1-10-8-16(21)18-17-11(2)7-14(9-15(10)17)24(22,23)19-12-3-5-13(20)6-4-12/h3-9,19-20H,1-2H3,(H,18,21)
InChIKeyMQNOBIWPFJCCAL-UHFFFAOYSA-N
XLogP2.65
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16804868
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
CID 2998367
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-ethyl-N-(4-methoxyphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 16018562
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-(acetylamino)benzenesulfonate
CID 1850528
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86573039
2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-6-sulfonamide
CID 16018556
methyl (4-(N-(4-hydroxy-3,5-diisopropylphenyl)sulfamoyl)phenyl)carbamate
CID 1325400
3-[(diethylamino)sulfonyl]-N-(4-hydroxyphenyl)benzamide
CID 793746
Cambridge id 5939864
CID 767396

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 16804877) is N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)Nc3ccc(O)cc3)cc12.
What is the InChIKey of N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is MQNOBIWPFJCCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-8-16(21)18-17-11(2)7-14(9-15(10)17)24(22,23)19-12-3-5-13(20)6-4-12/h3-9,19-20H,1-2H3,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 16804877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).