N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide

C23H18N2O3S — CID 132543034

IUPACN-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-11-13-21(14-12-17)29(27,28)25(20-8-3-2-4-9-20)23-19(16-26)15-18-7-5-6-10-22(18)24-23/h2-16H,1H3
InChIKeyMZQKDFHAKCBMOW-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.88
Rot. Bonds5

About N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide

N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 132543034) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide
PubChem CID132543034
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2nc3ccccc3cc2C=O)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-11-13-21(14-12-17)29(27,28)25(20-8-3-2-4-9-20)23-19(16-26)15-18-7-5-6-10-22(18)24-23/h2-16H,1H3
InChIKeyMZQKDFHAKCBMOW-UHFFFAOYSA-N
XLogP4.88
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-3-formylquinolin-2-yl)-N,4-dimethylbenzenesulfonamide
CID 164679221
[3-formyl-2-[methyl-(4-methylphenyl)sulfonylamino]quinolin-6-yl] acetate
CID 132543027
2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde
CID 54884071
N-(2-formylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 139086666
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61426585
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
CID 43527026
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(1H-imidazo[4,5-b]pyridin-5-yl)-4-methyl-N-phenylbenzenesulfonamide
CID 67311613
N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733912
2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
CID 61451313
3-(2-methylacridin-3-yl)acridine-2-carbaldehyde
CID 58719315

Frequently Asked Questions

What is the IUPAC name of N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide (CID 132543034) is N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)c2nc3ccccc3cc2C=O)cc1.
What is the InChIKey of N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is MZQKDFHAKCBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-17-11-13-21(14-12-17)29(27,28)25(20-8-3-2-4-9-20)23-19(16-26)15-18-7-5-6-10-22(18)24-23/h2-16H,1H3.
What are the key properties of N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide?
N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylquinolin-2-yl)-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 132543034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).