N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide

C25H22N4O5S — CID 24517530

IUPACN-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C25H22N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-6-7-19(17-21)25(31)27-26-24(30)18-11-13-20(14-12-18)29-15-4-5-16-29/h2-17,28H,1H3,(H,26,30)(H,27,31)
InChIKeyCDFSKGYCXPPXOY-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.36
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide

N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 24517530) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID24517530
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC NameN-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C25H22N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-6-7-19(17-21)25(31)27-26-24(30)18-11-13-20(14-12-18)29-15-4-5-16-29/h2-17,28H,1H3,(H,26,30)(H,27,31)
InChIKeyCDFSKGYCXPPXOY-UHFFFAOYSA-N
XLogP3.36
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
3-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24502638
3-[[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24565267
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
3-[[1-(5-fluoro-2-hydroxyphenyl)ethenylamino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2692046
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylbutan-2-yl)benzamide
CID 51185857

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide (CID 24517530) is N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is CDFSKGYCXPPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-6-7-19(17-21)25(31)27-26-24(30)18-11-13-20(14-12-18)29-15-4-5-16-29/h2-17,28H,1H3,(H,26,30)(H,27,31).
What are the key properties of N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide?
N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 490.54 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[[(4-pyrrol-1-ylbenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 24517530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).