N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide

C19H19N3O4S — CID 122303656

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-18(22-27(23,24)17-11-9-15(25-3)10-12-17)14(2)21-19(20-13)26-16-7-5-4-6-8-16/h4-12,22H,1-3H3
InChIKeyBNVGJPCHDUEEAE-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.70
Rot. Bonds6

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 122303656) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
PubChem CID122303656
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-18(22-27(23,24)17-11-9-15(25-3)10-12-17)14(2)21-19(20-13)26-16-7-5-4-6-8-16/h4-12,22H,1-3H3
InChIKeyBNVGJPCHDUEEAE-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

4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122303890
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-phenoxybenzenesulfonamide
CID 21081391
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide (CID 122303656) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nc(Oc3ccccc3)nc2C)cc1.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is BNVGJPCHDUEEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-18(22-27(23,24)17-11-9-15(25-3)10-12-17)14(2)21-19(20-13)26-16-7-5-4-6-8-16/h4-12,22H,1-3H3.
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-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-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122303656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).