3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

C18H17N3O5S — CID 122302279

IUPAC3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1OC
InChIInChI=1S/C18H17N3O5S/c1-24-16-9-8-15(10-17(16)25-2)27(22,23)21-13-11-19-18(20-12-13)26-14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyUACCJFTUFBEUHD-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.09
Rot. Bonds7

About 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 122302279) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID122302279
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1OC
InChIInChI=1S/C18H17N3O5S/c1-24-16-9-8-15(10-17(16)25-2)27(22,23)21-13-11-19-18(20-12-13)26-14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyUACCJFTUFBEUHD-UHFFFAOYSA-N
XLogP3.09
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122302547

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (CID 122302279) is 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is UACCJFTUFBEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-24-16-9-8-15(10-17(16)25-2)27(22,23)21-13-11-19-18(20-12-13)26-14-6-4-3-5-7-14/h3-12,21H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122302279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).