N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide

C25H21N5O3S — CID 122314037

IUPACN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
SMILESCc1ncn(-c2cc(Oc3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)ncn2)c1C
InChIInChI=1S/C25H21N5O3S/c1-17-18(2)30(16-28-17)24-14-25(27-15-26-24)33-21-12-10-20(11-13-21)29-34(31,32)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,29H,1-2H3
InChIKeyIUXNYSBBSWVQDV-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide (PubChem CID 122314037) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
PubChem CID122314037
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC NameN-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide
SMILESCc1ncn(-c2cc(Oc3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)ncn2)c1C
InChIInChI=1S/C25H21N5O3S/c1-17-18(2)30(16-28-17)24-14-25(27-15-26-24)33-21-12-10-20(11-13-21)29-34(31,32)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,29H,1-2H3
InChIKeyIUXNYSBBSWVQDV-UHFFFAOYSA-N
XLogP5.03
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-methylphenyl)methanesulfonamide
CID 122314023
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122314022
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 122313487
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-ethoxynaphthalene-1-carboxamide
CID 122313915
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-1-sulfonamide
CID 122310258
2,5-dimethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311196
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-iodobenzamide
CID 122314087
2-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312348
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
2,4-dichloro-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methylbenzenesulfonamide
CID 122313640
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,4-dimethoxybenzenesulfonamide
CID 122307247
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122311420

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide (CID 122314037) is N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide is Cc1ncn(-c2cc(Oc3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)ncn2)c1C.
What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide?
The InChIKey is IUXNYSBBSWVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-17-18(2)30(16-28-17)24-14-25(27-15-26-24)33-21-12-10-20(11-13-21)29-34(31,32)23-9-5-7-19-6-3-4-8-22(19)23/h3-16,29H,1-2H3.
What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide?
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide has a molecular weight of 471.54 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).