N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide

C12H10F3N3O4S — CID 126579668

IUPACN-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NO)c1cccc(SC(F)(F)F)c1COc1ccn(O)n1
InChIInChI=1S/C12H10F3N3O4S/c13-12(14,15)23-9-3-1-2-7(11(19)17-20)8(9)6-22-10-4-5-18(21)16-10/h1-5,20-21H,6H2,(H,17,19)
InChIKeyRRCWLSQAMNYLDW-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.43
Rot. Bonds5

About N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide

N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide (PubChem CID 126579668) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
PubChem CID126579668
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC NameN-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NO)c1cccc(SC(F)(F)F)c1COc1ccn(O)n1
InChIInChI=1S/C12H10F3N3O4S/c13-12(14,15)23-9-3-1-2-7(11(19)17-20)8(9)6-22-10-4-5-18(21)16-10/h1-5,20-21H,6H2,(H,17,19)
InChIKeyRRCWLSQAMNYLDW-UHFFFAOYSA-N
XLogP2.43
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylsulfanylbenzamide
CID 126579759
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzoate
CID 126579574
N-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
CID 157459494
N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propylbenzamide
CID 126580039
3-bromo-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl bromide
CID 126579440
propyl 3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126579572
methyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoate
CID 126575695
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877
N-chloro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzamide
CID 126579527
3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid
CID 126576153
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoyl azide
CID 126579472

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide (CID 126579668) is N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide is O=C(NO)c1cccc(SC(F)(F)F)c1COc1ccn(O)n1.
What is the InChIKey of N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide?
The InChIKey is RRCWLSQAMNYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c13-12(14,15)23-9-3-1-2-7(11(19)17-20)8(9)6-22-10-4-5-18(21)16-10/h1-5,20-21H,6H2,(H,17,19).
What are the key properties of N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide?
N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide has a molecular weight of 349.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 126579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).