N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

C16H14N2O4S — CID 16804868

IUPACN-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc12
InChIInChI=1S/C16H14N2O4S/c1-10-8-16(20)17-15-7-6-13(9-14(10)15)23(21,22)18-11-2-4-12(19)5-3-11/h2-9,18-19H,1H3,(H,17,20)
InChIKeyVBSVURNLFBWCHH-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.34
Rot. Bonds3

About N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 16804868) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID16804868
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc12
InChIInChI=1S/C16H14N2O4S/c1-10-8-16(20)17-15-7-6-13(9-14(10)15)23(21,22)18-11-2-4-12(19)5-3-11/h2-9,18-19H,1H3,(H,17,20)
InChIKeyVBSVURNLFBWCHH-UHFFFAOYSA-N
XLogP2.34
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.34
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

(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 16804877
N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
CID 2998367
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-[4-(6-Methoxy-2,2,4-trimethyl-2H-quinoline-1-sulfonyl)-phenyl]-acetamide
CID 1015805
N-ethyl-N-(4-methoxyphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 16018562
(E)-N-[4-(cycloheptylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 15049729
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-(acetylamino)benzenesulfonate
CID 1850528
N-(4-(N-(3,5-Difluoro-4-hydroxyphenyl)sulfamoyl)phenyl)-benzamide
CID 49837277
1-(4-Hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-6-sulfonamide
CID 16018556
3-[(diethylamino)sulfonyl]-N-(4-hydroxyphenyl)benzamide
CID 793746

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (CID 16804868) is N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide is Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc12.
What is the InChIKey of N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is VBSVURNLFBWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-8-16(20)17-15-7-6-13(9-14(10)15)23(21,22)18-11-2-4-12(19)5-3-11/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
N-(4-hydroxyphenyl)-4-methyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.34, 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-methyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 16804868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).