4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide

C22H18N2O2S — CID 169371631

IUPAC4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-9-11-21(12-10-16)27(25,26)24-20-7-4-6-17(14-20)19-13-18-5-2-3-8-22(18)23-15-19/h2-15,24H,1H3
InChIKeyLFBROXLIGYAKGH-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.01
Rot. Bonds4

About 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide

4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide (PubChem CID 169371631) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
PubChem CID169371631
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cnc4ccccc4c3)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-9-11-21(12-10-16)27(25,26)24-20-7-4-6-17(14-20)19-13-18-5-2-3-8-22(18)23-15-19/h2-15,24H,1H3
InChIKeyLFBROXLIGYAKGH-UHFFFAOYSA-N
XLogP5.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169373356
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide (CID 169371631) is 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3cnc4ccccc4c3)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide?
The InChIKey is LFBROXLIGYAKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-9-11-21(12-10-16)27(25,26)24-20-7-4-6-17(14-20)19-13-18-5-2-3-8-22(18)23-15-19/h2-15,24H,1H3.
What are the key properties of 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide?
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 169371631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).