N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide

C16H12F5N3O6S — CID 23645533

IUPACN-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
InChIKeyYXXIQAWIZFAIOP-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.38
Rot. Bonds7

About N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide

N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (PubChem CID 23645533) has the molecular formula C16H12F5N3O6S and a molecular weight of 469.34 g/mol. Its IUPAC name is N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
PubChem CID23645533
Molecular FormulaC16H12F5N3O6S
Molecular Weight469.34 g/mol
Exact Mass469.04
IUPAC NameN-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
InChIKeyYXXIQAWIZFAIOP-UHFFFAOYSA-N
XLogP2.38
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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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Related Compounds

N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-acetamide
CID 10456675
Hydroxamate 32
CID 10671441
Hydroxamate 17
CID 23645529
Hydroxamate 23
CID 23645530
N-Hydroxy-2-[(4-nitro-benzyl)-pentafluorobenzenesulfonyl-amino]-propionamide
CID 23645535
N-Hydroxy-2-[(2-nitro-benzyl)-(nonafluorobutane-1-sulfonyl)-amino]-propionamide
CID 23645532
N-Hydroxy-2-[(4-nitro-benzyl)-(nonafluorobutane-1-sulfonyl)-amino]-acetamide
CID 10529602
N-Hydroxy-2-[(2-nitrobenzyl)(nonafluorobutylsulfonyl)amino]acetamide
CID 11799753
N-Hydroxy-2-[(4-nitro-benzyl)-(nonafluorobutane-1-sulfonyl)-amino]-propionamide
CID 23645534
N~2~-(3-Aminobenzyl)-N~2~-[(4-Fluoro-3-Methylphenyl)sulfonyl]-N-Hydroxy-D-Alaninamide
CID 86277899
N-Hydroxy-2-[(4-nitro-benzyl)-(3-trifluoromethyl-benzenesulfonyl)-amino]-acetamide
CID 10365560
2-[(Heptadecafluorooctane-1-sulfonyl)-(4-nitro-benzyl)-amino]-N-hydroxy-acetamide
CID 10723468

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (CID 23645533) is N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The InChIKey is YXXIQAWIZFAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-4-2-3-5-9(8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide has a molecular weight of 469.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 23645533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).