5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

C22H21N3O6S — CID 55370417

IUPAC5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H21N3O6S/c1-14-7-10-16(11-8-14)25-32(29,30)20-13-15(9-12-19(20)31-2)21(27)23-24-22(28)17-5-3-4-6-18(17)26/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28)
InChIKeyLWHXYXLFXDAYFA-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.58
Rot. Bonds6

About 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 55370417) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID55370417
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H21N3O6S/c1-14-7-10-16(11-8-14)25-32(29,30)20-13-15(9-12-19(20)31-2)21(27)23-24-22(28)17-5-3-4-6-18(17)26/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28)
InChIKeyLWHXYXLFXDAYFA-UHFFFAOYSA-N
XLogP2.58
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.58
H-Bond Donors ≤ 54
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-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (CID 55370417) is 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is LWHXYXLFXDAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-14-7-10-16(11-8-14)25-32(29,30)20-13-15(9-12-19(20)31-2)21(27)23-24-22(28)17-5-3-4-6-18(17)26/h3-13,25-26H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 455.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55370417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).