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

C16H12F5N3O6S — CID 101015307

IUPAC(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)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)/t7-/m0/s1
InChIKeyDJASZHFLBWUJAJ-ZETCQYMHSA-N
MW469.34 g/mol
LogP2.38
Rot. Bonds7

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

(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (PubChem CID 101015307) has the molecular formula C16H12F5N3O6S and a molecular weight of 469.34 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
PubChem CID101015307
Molecular FormulaC16H12F5N3O6S
Molecular Weight469.34 g/mol
Exact Mass469.04
IUPAC Name(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)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)/t7-/m0/s1
InChIKeyDJASZHFLBWUJAJ-ZETCQYMHSA-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

(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 101015317
[4-[[(4-fluoro-3-methylphenyl)sulfonyl-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]methyl]phenyl]methylazanium
CID 117072122
(2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfanylamino]propanamide
CID 177428235
N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
CID 23148382
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
(2S)-2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100685205
(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
(2R)-2-[(4-fluorophenyl)methyl-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100684052
3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
tert-butyl N-[4-[benzyl-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]carbamate
CID 101074327
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide (CID 101015307) is (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is C[C@@H](C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
The InChIKey is DJASZHFLBWUJAJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)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)/t7-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide?
(2S)-N-hydroxy-2-[(4-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 (2S)-N-hydroxy-2-[(4-nitrophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 101015307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).