2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide

C22H22N2O4S — CID 135320509

IUPAC2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(C(=O)NO)c3ccccc3)c2)cc1C
InChIInChI=1S/C22H22N2O4S/c1-15-11-12-20(13-16(15)2)29(27,28)24-19-10-6-9-18(14-19)21(22(25)23-26)17-7-4-3-5-8-17/h3-14,21,24,26H,1-2H3,(H,23,25)
InChIKeyNUMAFOKBJNWEMD-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.74
Rot. Bonds6

About 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide

2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide (PubChem CID 135320509) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide
PubChem CID135320509
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(C(=O)NO)c3ccccc3)c2)cc1C
InChIInChI=1S/C22H22N2O4S/c1-15-11-12-20(13-16(15)2)29(27,28)24-19-10-6-9-18(14-19)21(22(25)23-26)17-7-4-3-5-8-17/h3-14,21,24,26H,1-2H3,(H,23,25)
InChIKeyNUMAFOKBJNWEMD-UHFFFAOYSA-N
XLogP3.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
CID 35538189
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
CID 135320550
N-[3-chloro-4-[(S)-cyano(phenyl)methyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 7938319
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
3-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580790
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide (CID 135320509) is 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(C(=O)NO)c3ccccc3)c2)cc1C.
What is the InChIKey of 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide?
The InChIKey is NUMAFOKBJNWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-11-12-20(13-16(15)2)29(27,28)24-19-10-6-9-18(14-19)21(22(25)23-26)17-7-4-3-5-8-17/h3-14,21,24,26H,1-2H3,(H,23,25).
What are the key properties of 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide?
2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide has a molecular weight of 410.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 135320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).