3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C22H19ClN4O3S — CID 11597681

IUPAC3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)c(OCc2ccc3ccccc3n2)n1
InChIInChI=1S/C22H19ClN4O3S/c1-14-12-24-21(27-31(28,29)20-9-5-7-18(23)15(20)2)22(25-14)30-13-17-11-10-16-6-3-4-8-19(16)26-17/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyQNONGOVLYXVELR-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.67
Rot. Bonds6

About 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 11597681) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID11597681
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)c(OCc2ccc3ccccc3n2)n1
InChIInChI=1S/C22H19ClN4O3S/c1-14-12-24-21(27-31(28,29)20-9-5-7-18(23)15(20)2)22(25-14)30-13-17-11-10-16-6-3-4-8-19(16)26-17/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyQNONGOVLYXVELR-UHFFFAOYSA-N
XLogP4.67
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 11597681) is 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2cccc(Cl)c2C)c(OCc2ccc3ccccc3n2)n1.
What is the InChIKey of 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is QNONGOVLYXVELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-14-12-24-21(27-31(28,29)20-9-5-7-18(23)15(20)2)22(25-14)30-13-17-11-10-16-6-3-4-8-19(16)26-17/h3-12H,13H2,1-2H3,(H,24,27).
What are the key properties of 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-methyl-3-(quinolin-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 11597681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).