N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C18H15N3O3S — CID 68939319

IUPACN-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C18H15N3O3S/c1-11-4-2-3-5-15(11)21-25(23,24)12-6-7-16-14(10-12)13-8-9-19-17(13)18(22)20-16/h2-10,19,21H,1H3,(H,20,22)
InChIKeyMQKIVOHTYYTACN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.12
Rot. Bonds3

About N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 68939319) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
PubChem CID68939319
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1
InChIInChI=1S/C18H15N3O3S/c1-11-4-2-3-5-15(11)21-25(23,24)12-6-7-16-14(10-12)13-8-9-19-17(13)18(22)20-16/h2-10,19,21H,1H3,(H,20,22)
InChIKeyMQKIVOHTYYTACN-UHFFFAOYSA-N
XLogP3.12
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)naphthalene-2-sulfonamide
CID 68935733
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonyl chloride
CID 87717212
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68937970
N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
CID 22567207
8-bromo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68934746
N-(1H-indol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 47093112
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
8-iodo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68936033
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 68939319) is N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1.
What is the InChIKey of N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The InChIKey is MQKIVOHTYYTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-4-2-3-5-15(11)21-25(23,24)12-6-7-16-14(10-12)13-8-9-19-17(13)18(22)20-16/h2-10,19,21H,1H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 68939319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).