N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide

C19H19N3O4S — CID 108783146

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-12-14(2)21-19(20-13)26-17-6-4-15(5-7-17)22-27(23,24)18-10-8-16(25-3)9-11-18/h4-12,22H,1-3H3
InChIKeyNDIQMZROIPOKNZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide (PubChem CID 108783146) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
PubChem CID108783146
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-12-14(2)21-19(20-13)26-17-6-4-15(5-7-17)22-27(23,24)18-10-8-16(25-3)9-11-18/h4-12,22H,1-3H3
InChIKeyNDIQMZROIPOKNZ-UHFFFAOYSA-N
XLogP3.70
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
CID 108783145
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
4-chloro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478598
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[3-fluoro-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371317

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide (CID 108783146) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is NDIQMZROIPOKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-12-14(2)21-19(20-13)26-17-6-4-15(5-7-17)22-27(23,24)18-10-8-16(25-3)9-11-18/h4-12,22H,1-3H3.
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 108783146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).