3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide

C24H22N2O2S — CID 24891714

IUPAC3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2C)c1
InChIInChI=1S/C24H22N2O2S/c1-17-6-5-7-19(14-17)22-11-10-21(15-18(22)2)29(27,28)26-16-20-12-13-25-24-9-4-3-8-23(20)24/h3-15,26H,16H2,1-2H3
InChIKeyBWHHSIDFGSOEQH-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.00
Rot. Bonds5

About 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide

3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide (PubChem CID 24891714) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
PubChem CID24891714
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2C)c1
InChIInChI=1S/C24H22N2O2S/c1-17-6-5-7-19(14-17)22-11-10-21(15-18(22)2)29(27,28)26-16-20-12-13-25-24-9-4-3-8-23(20)24/h3-15,26H,16H2,1-2H3
InChIKeyBWHHSIDFGSOEQH-UHFFFAOYSA-N
XLogP5.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
4-(3-methylphenyl)quinoline
CID 146587179
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide
CID 89489091
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 71144623
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
2,5-dimethyl-N-(quinolin-4-ylmethyl)aniline
CID 63867018
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide (CID 24891714) is 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide is Cc1cccc(-c2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2C)c1.
What is the InChIKey of 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The InChIKey is BWHHSIDFGSOEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-17-6-5-7-19(14-17)22-11-10-21(15-18(22)2)29(27,28)26-16-20-12-13-25-24-9-4-3-8-23(20)24/h3-15,26H,16H2,1-2H3.
What are the key properties of 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 24891714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).