N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide

C14H12F9N3O6S — CID 10530002

IUPACN-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C14H12F9N3O6S/c15-11(16,13(19,20)21)12(17,18)14(22,23)33(31,32)25(6-5-10(27)24-28)7-8-1-3-9(4-2-8)26(29)30/h1-4,28H,5-7H2,(H,24,27)
InChIKeyYSAUGALPRJJRQB-UHFFFAOYSA-N
MW521.31 g/mol
LogP3.05
Rot. Bonds10

About N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide

N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide (PubChem CID 10530002) has the molecular formula C14H12F9N3O6S and a molecular weight of 521.31 g/mol. Its IUPAC name is N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
PubChem CID10530002
Molecular FormulaC14H12F9N3O6S
Molecular Weight521.31 g/mol
Exact Mass521.03
IUPAC NameN-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO
InChIInChI=1S/C14H12F9N3O6S/c15-11(16,13(19,20)21)12(17,18)14(22,23)33(31,32)25(6-5-10(27)24-28)7-8-1-3-9(4-2-8)26(29)30/h1-4,28H,5-7H2,(H,24,27)
InChIKeyYSAUGALPRJJRQB-UHFFFAOYSA-N
XLogP3.05
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.31
LogP ≤ 53.05
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10789615
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10552396
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 98618274
4-[carboxymethyl-[(4-nitrophenyl)methyl]sulfamoyl]benzoic acid
CID 10715617
N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10550145
1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
3-[carboxymethyl-(4-nitrophenyl)sulfonylamino]propanoic acid
CID 175653547

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide?
The IUPAC name of N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide (CID 10530002) is N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide?
The canonical SMILES for N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide is O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO.
What is the InChIKey of N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide?
The InChIKey is YSAUGALPRJJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F9N3O6S/c15-11(16,13(19,20)21)12(17,18)14(22,23)33(31,32)25(6-5-10(27)24-28)7-8-1-3-9(4-2-8)26(29)30/h1-4,28H,5-7H2,(H,24,27).
What are the key properties of N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide?
N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide has a molecular weight of 521.31 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide is sourced from PubChem (CID 10530002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).