4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide

C19H16N2O3S — CID 3438491

IUPAC4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2ccc2cccn23)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-15-8-10-16(11-9-15)25(22,23)20-18-5-2-6-19-17(18)12-7-14-4-3-13-21(14)19/h2-13,20H,1H3
InChIKeyJNNISYCJILXBNI-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.90
Rot. Bonds4

About 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide

4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide (PubChem CID 3438491) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide
PubChem CID3438491
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2ccc2cccn23)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-15-8-10-16(11-9-15)25(22,23)20-18-5-2-6-19-17(18)12-7-14-4-3-13-21(14)19/h2-13,20H,1H3
InChIKeyJNNISYCJILXBNI-UHFFFAOYSA-N
XLogP3.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 53190641
N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
CID 53190674
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
4-methoxy-N-(2-propan-2-yl-1H-indol-4-yl)benzenesulfonamide
CID 118337075
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide (CID 3438491) is 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3c2ccc2cccn23)cc1.
What is the InChIKey of 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide?
The InChIKey is JNNISYCJILXBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-15-8-10-16(11-9-15)25(22,23)20-18-5-2-6-19-17(18)12-7-14-4-3-13-21(14)19/h2-13,20H,1H3.
What are the key properties of 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide?
4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenesulfonamide is sourced from PubChem (CID 3438491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).