N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide

C24H20N2O4S — CID 3081197

IUPACN-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
InChIKeyRQFQHHZDINZMGC-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.24
Rot. Bonds6

About N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide

N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide (PubChem CID 3081197) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide
PubChem CID3081197
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27)
InChIKeyRQFQHHZDINZMGC-UHFFFAOYSA-N
XLogP4.24
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide (CID 3081197) is N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc(OCc3ccc4ccccc4n3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide?
The InChIKey is RQFQHHZDINZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-17-9-13-22(14-10-17)31(28,29)26-24(27)19-6-4-7-21(15-19)30-16-20-12-11-18-5-2-3-8-23(18)25-20/h2-15H,16H2,1H3,(H,26,27).
What are the key properties of N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide?
N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide has a molecular weight of 432.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-3-(quinolin-2-ylmethoxy)benzamide is sourced from PubChem (CID 3081197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).