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

C9H7F5N2O4S — CID 10042482

IUPACN-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
InChIInChI=1S/C9H7F5N2O4S/c1-2(9(17)15-18)16-21(19,20)8-6(13)4(11)3(10)5(12)7(8)14/h2,16,18H,1H3,(H,15,17)
InChIKeyAUIKJLRMPLDORG-UHFFFAOYSA-N
MW334.22 g/mol
LogP0.55
Rot. Bonds4

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

N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (PubChem CID 10042482) has the molecular formula C9H7F5N2O4S and a molecular weight of 334.22 g/mol. Its IUPAC name is N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
PubChem CID10042482
Molecular FormulaC9H7F5N2O4S
Molecular Weight334.22 g/mol
Exact Mass334.00
IUPAC NameN-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
InChIInChI=1S/C9H7F5N2O4S/c1-2(9(17)15-18)16-21(19,20)8-6(13)4(11)3(10)5(12)7(8)14/h2,16,18H,1H3,(H,15,17)
InChIKeyAUIKJLRMPLDORG-UHFFFAOYSA-N
XLogP0.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoic acid
CID 10829415
methyl (2S)-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-2-phenylacetate
CID 102431537
(2R)-2-[[4-(3-chloropropoxy)phenyl]sulfonylamino]-N-hydroxypropanamide
CID 87400365
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2-[[2,6-difluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 167791905

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (CID 10042482) is N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The InChIKey is AUIKJLRMPLDORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O4S/c1-2(9(17)15-18)16-21(19,20)8-6(13)4(11)3(10)5(12)7(8)14/h2,16,18H,1H3,(H,15,17).
What are the key properties of N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide has a molecular weight of 334.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 10042482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).