4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C20H22N4O6S2 — CID 90518474

IUPAC4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H22N4O6S2/c1-15-11-12-21-20(22-15)24-32(27,28)19-9-3-16(4-10-19)23-31(25,26)14-13-30-18-7-5-17(29-2)6-8-18/h3-12,23H,13-14H2,1-2H3,(H,21,22,24)
InChIKeyLEEPXGDMVBKSKS-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.42
Rot. Bonds10

About 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 90518474) has the molecular formula C20H22N4O6S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID90518474
Molecular FormulaC20H22N4O6S2
Molecular Weight478.55 g/mol
Exact Mass478.10
IUPAC Name4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
InChIInChI=1S/C20H22N4O6S2/c1-15-11-12-21-20(22-15)24-32(27,28)19-9-3-16(4-10-19)23-31(25,26)14-13-30-18-7-5-17(29-2)6-8-18/h3-12,23H,13-14H2,1-2H3,(H,21,22,24)
InChIKeyLEEPXGDMVBKSKS-UHFFFAOYSA-N
XLogP2.42
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 17191722

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 90518474) is 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is COc1ccc(OCCS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is LEEPXGDMVBKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S2/c1-15-11-12-21-20(22-15)24-32(27,28)19-9-3-16(4-10-19)23-31(25,26)14-13-30-18-7-5-17(29-2)6-8-18/h3-12,23H,13-14H2,1-2H3,(H,21,22,24).
What are the key properties of 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 478.55 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 90518474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).