1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H10FN3O5S — CID 168715645

IUPAC1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc([N+](=O)[O-])cc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)7-4-10(15)13(5-7)9-3-6(14(16)17)1-2-8(9)12/h1-3,7H,4-5,12H2
InChIKeyOIBXIYCRKIJGAK-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.58
Rot. Bonds3

About 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715645) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715645
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNc1ccc([N+](=O)[O-])cc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H10FN3O5S/c11-20(18,19)7-4-10(15)13(5-7)9-3-6(14(16)17)1-2-8(9)12/h1-3,7H,4-5,12H2
InChIKeyOIBXIYCRKIJGAK-UHFFFAOYSA-N
XLogP0.58
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715355
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383
1-(2,6-dinitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715280
1-(5-chloro-2-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715942
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
1-(4-bromo-3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715571
1-(4-bromo-5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715261
[1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676957

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715645) is 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is Nc1ccc([N+](=O)[O-])cc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is OIBXIYCRKIJGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-20(18,19)7-4-10(15)13(5-7)9-3-6(14(16)17)1-2-8(9)12/h1-3,7H,4-5,12H2.
What are the key properties of 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 303.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).