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

C10H8BrFN2O5S — CID 168715355

IUPAC1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H8BrFN2O5S/c11-8-2-1-6(14(16)17)3-9(8)13-5-7(4-10(13)15)20(12,18)19/h1-3,7H,4-5H2
InChIKeyQTYWAEYGLQJFJX-UHFFFAOYSA-N
MW367.15 g/mol
LogP1.76
Rot. Bonds3

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

1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715355) has the molecular formula C10H8BrFN2O5S and a molecular weight of 367.15 g/mol. Its IUPAC name is 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715355
Molecular FormulaC10H8BrFN2O5S
Molecular Weight367.15 g/mol
Exact Mass365.93
IUPAC Name1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H8BrFN2O5S/c11-8-2-1-6(14(16)17)3-9(8)13-5-7(4-10(13)15)20(12,18)19/h1-3,7H,4-5H2
InChIKeyQTYWAEYGLQJFJX-UHFFFAOYSA-N
XLogP1.76
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
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-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697723
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
1-(2-bromo-4-chloro-6-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715273
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684
1-(2,6-dinitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715280
1-(4-bromo-2,5-dichlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715173
1-(5-chloro-2-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715942

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715355) is 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is QTYWAEYGLQJFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O5S/c11-8-2-1-6(14(16)17)3-9(8)13-5-7(4-10(13)15)20(12,18)19/h1-3,7H,4-5H2.
What are the key properties of 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 367.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).