4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C27H22N4O3S — CID 23076292

IUPAC4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc4ccccc34)nc2OCc2cccnc2)cc1
InChIInChI=1S/C27H22N4O3S/c1-19-11-13-22(14-12-19)35(32,33)31-26-27(34-18-20-6-5-15-28-16-20)30-25(17-29-26)24-10-4-8-21-7-2-3-9-23(21)24/h2-17H,18H2,1H3,(H,29,31)
InChIKeyUGVQQCBPVSLTKQ-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.38
Rot. Bonds7

About 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23076292) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23076292
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Name4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc4ccccc34)nc2OCc2cccnc2)cc1
InChIInChI=1S/C27H22N4O3S/c1-19-11-13-22(14-12-19)35(32,33)31-26-27(34-18-20-6-5-15-28-16-20)30-25(17-29-26)24-10-4-8-21-7-2-3-9-23(21)24/h2-17H,18H2,1H3,(H,29,31)
InChIKeyUGVQQCBPVSLTKQ-UHFFFAOYSA-N
XLogP5.38
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23076292) is 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc4ccccc34)nc2OCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is UGVQQCBPVSLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-19-11-13-22(14-12-19)35(32,33)31-26-27(34-18-20-6-5-15-28-16-20)30-25(17-29-26)24-10-4-8-21-7-2-3-9-23(21)24/h2-17H,18H2,1H3,(H,29,31).
What are the key properties of 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 482.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-naphthalen-1-yl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23076292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).