4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide

C20H20N4O7S2 — CID 158695318

IUPAC4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc(S(C)(=O)=O)ncc2C(=O)NO)cc1
InChIInChI=1S/C20H20N4O7S2/c1-31-15-8-10-16(11-9-15)33(29,30)24(13-14-6-4-3-5-7-14)18-17(19(25)23-26)12-21-20(22-18)32(2,27)28/h3-12,26H,13H2,1-2H3,(H,23,25)
InChIKeyIGWCJIARCYTVNH-UHFFFAOYSA-N
MW492.54 g/mol
LogP1.40
Rot. Bonds8

About 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide

4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide (PubChem CID 158695318) has the molecular formula C20H20N4O7S2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide
PubChem CID158695318
Molecular FormulaC20H20N4O7S2
Molecular Weight492.54 g/mol
Exact Mass492.08
IUPAC Name4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc(S(C)(=O)=O)ncc2C(=O)NO)cc1
InChIInChI=1S/C20H20N4O7S2/c1-31-15-8-10-16(11-9-15)33(29,30)24(13-14-6-4-3-5-7-14)18-17(19(25)23-26)12-21-20(22-18)32(2,27)28/h3-12,26H,13H2,1-2H3,(H,23,25)
InChIKeyIGWCJIARCYTVNH-UHFFFAOYSA-N
XLogP1.40
TPSA155.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10186703
N-hydroxy-8-methoxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
CID 10141426
methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-bromobenzoate
CID 57229628
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206977
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206168
2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
CID 21310756
methyl 4-[benzyl-(3-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 66601124
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 2194165
N-hydroxy-1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10120813
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-phenylpropyl)benzamide
CID 133185362
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide?
The IUPAC name of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide (CID 158695318) is 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc(S(C)(=O)=O)ncc2C(=O)NO)cc1.
What is the InChIKey of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide?
The InChIKey is IGWCJIARCYTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O7S2/c1-31-15-8-10-16(11-9-15)33(29,30)24(13-14-6-4-3-5-7-14)18-17(19(25)23-26)12-21-20(22-18)32(2,27)28/h3-12,26H,13H2,1-2H3,(H,23,25).
What are the key properties of 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide?
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide is sourced from PubChem (CID 158695318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).