N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide

C17H18N4O7S — CID 10502327

IUPACN-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O7S/c1-12-4-2-3-5-15(12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-6-8-14(9-7-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyUOHZYJYLFKMPMQ-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.31
Rot. Bonds7

About N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10502327) has the molecular formula C17H18N4O7S and a molecular weight of 422.42 g/mol. Its IUPAC name is N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10502327
Molecular FormulaC17H18N4O7S
Molecular Weight422.42 g/mol
Exact Mass422.09
IUPAC NameN-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O7S/c1-12-4-2-3-5-15(12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-6-8-14(9-7-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyUOHZYJYLFKMPMQ-UHFFFAOYSA-N
XLogP1.31
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10502327) is N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide is Cc1ccccc1S(=O)(=O)NC(=O)N(CC(=O)NO)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is UOHZYJYLFKMPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O7S/c1-12-4-2-3-5-15(12)29(27,28)19-17(23)20(11-16(22)18-24)10-13-6-8-14(9-7-13)21(25)26/h2-9,24H,10-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 422.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10502327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).