4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

C18H17N3O4S — CID 122302290

IUPAC4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1C
InChIInChI=1S/C18H17N3O4S/c1-13-10-16(8-9-17(13)24-2)26(22,23)21-14-11-19-18(20-12-14)25-15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyFTBNSHILEFQKPE-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.39
Rot. Bonds6

About 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 122302290) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID122302290
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1C
InChIInChI=1S/C18H17N3O4S/c1-13-10-16(8-9-17(13)24-2)26(22,23)21-14-11-19-18(20-12-14)25-15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyFTBNSHILEFQKPE-UHFFFAOYSA-N
XLogP3.39
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122303666
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110869798
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (CID 122302290) is 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is FTBNSHILEFQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-10-16(8-9-17(13)24-2)26(22,23)21-14-11-19-18(20-12-14)25-15-6-4-3-5-7-15/h3-12,21H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122302290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).