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

C16H17N3O6S — CID 10785952

IUPACN-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O6S/c1-12-2-8-15(9-3-12)26(24,25)18(11-16(20)17-21)10-13-4-6-14(7-5-13)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyFTUOECQUSPMQQZ-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.60
Rot. Bonds7

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

N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10785952) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10785952
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O6S/c1-12-2-8-15(9-3-12)26(24,25)18(11-16(20)17-21)10-13-4-6-14(7-5-13)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20)
InChIKeyFTUOECQUSPMQQZ-UHFFFAOYSA-N
XLogP1.60
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10785952) is N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is FTUOECQUSPMQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-12-2-8-15(9-3-12)26(24,25)18(11-16(20)17-21)10-13-4-6-14(7-5-13)19(22)23/h2-9,21H,10-11H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 379.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methylphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10785952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).