N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C19H17N3O6S — CID 10549756

IUPACN-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO
InChIInChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-8-10-16(11-9-14)22(25)26)29(27,28)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,24H,12-13H2,(H,20,23)
InChIKeyUJKQHAYQMMMAEL-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.44
Rot. Bonds7

About N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10549756) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10549756
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC NameN-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESO=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO
InChIInChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-8-10-16(11-9-14)22(25)26)29(27,28)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,24H,12-13H2,(H,20,23)
InChIKeyUJKQHAYQMMMAEL-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-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10549756) is N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2ccccc12)NO.
What is the InChIKey of N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is UJKQHAYQMMMAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c23-19(20-24)13-21(12-14-8-10-16(11-9-14)22(25)26)29(27,28)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,24H,12-13H2,(H,20,23).
What are the key properties of N-hydroxy-2-[naphthalen-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[naphthalen-1-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-1-ylsulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10549756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).