N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C19H17N3O6S — CID 10525912

IUPACN-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-5-8-17(9-6-14)22(25)26)29(27,28)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,24H,12-13H2,(H,20,23)
InChIKeyIHPUTEIJIZVYPC-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.44
Rot. Bonds7

About N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10525912) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10525912
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC NameN-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO
InChIInChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-5-8-17(9-6-14)22(25)26)29(27,28)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,24H,12-13H2,(H,20,23)
InChIKeyIHPUTEIJIZVYPC-UHFFFAOYSA-N
XLogP2.44
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.44
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-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10525912) is N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO.
What is the InChIKey of N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is IHPUTEIJIZVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-5-8-17(9-6-14)22(25)26)29(27,28)18-10-7-15-3-1-2-4-16(15)11-18/h1-11,24H,12-13H2,(H,20,23).
What are the key properties of N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 415.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[naphthalen-2-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10525912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).