2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide

C20H22N2O2S — CID 3847613

IUPAC2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cccc3ncccc23)c(C)c1C
InChIInChI=1S/C20H22N2O2S/c1-12-13(2)15(4)20(16(5)14(12)3)25(23,24)22-19-10-6-9-18-17(19)8-7-11-21-18/h6-11,22H,1-5H3
InChIKeyVKKIHLGFDLSACG-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.58
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide

2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 3847613) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
PubChem CID3847613
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2cccc3ncccc23)c(C)c1C
InChIInChI=1S/C20H22N2O2S/c1-12-13(2)15(4)20(16(5)14(12)3)25(23,24)22-19-10-6-9-18-17(19)8-7-11-21-18/h6-11,22H,1-5H3
InChIKeyVKKIHLGFDLSACG-UHFFFAOYSA-N
XLogP4.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
CID 43456143
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
3-methoxy-N-quinolin-5-ylthiophene-2-sulfonamide
CID 75435601
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide
CID 107773041
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
N-(2-aminophenyl)quinoline-5-sulfonamide
CID 104773530
N-(2-iodophenyl)quinoline-5-sulfonamide
CID 115601110

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide (CID 3847613) is 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc3ncccc23)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is VKKIHLGFDLSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12-13(2)15(4)20(16(5)14(12)3)25(23,24)22-19-10-6-9-18-17(19)8-7-11-21-18/h6-11,22H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide?
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 3847613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).