4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide

C20H20N2O5S2 — CID 75493365

IUPAC4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C20H20N2O5S2/c1-15-14-17(12-13-19(15)27-2)28(23,24)22-18-10-6-7-11-20(18)29(25,26)21-16-8-4-3-5-9-16/h3-14,21-22H,1-2H3
InChIKeyQMZIDRKKONKZQZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.61
Rot. Bonds7

About 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 75493365) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID75493365
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C20H20N2O5S2/c1-15-14-17(12-13-19(15)27-2)28(23,24)22-18-10-6-7-11-20(18)29(25,26)21-16-8-4-3-5-9-16/h3-14,21-22H,1-2H3
InChIKeyQMZIDRKKONKZQZ-UHFFFAOYSA-N
XLogP3.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
4-methoxy-N-[4-(2-methoxyethylamino)phenyl]-3-methylbenzenesulfonamide
CID 112980985
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
CID 70612965
N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093827
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide (CID 75493365) is 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is QMZIDRKKONKZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-15-14-17(12-13-19(15)27-2)28(23,24)22-18-10-6-7-11-20(18)29(25,26)21-16-8-4-3-5-9-16/h3-14,21-22H,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 75493365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).