2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C10H11BrFN3O3S — CID 106180872

IUPAC2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H11BrFN3O3S/c11-6-2-9(8(13)3-7(6)12)19(17,18)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16)
InChIKeyMGAREDNSIATFSK-UHFFFAOYSA-N
MW352.19 g/mol
LogP0.34
Rot. Bonds3

About 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106180872) has the molecular formula C10H11BrFN3O3S and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106180872
Molecular FormulaC10H11BrFN3O3S
Molecular Weight352.19 g/mol
Exact Mass350.97
IUPAC Name2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H11BrFN3O3S/c11-6-2-9(8(13)3-7(6)12)19(17,18)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16)
InChIKeyMGAREDNSIATFSK-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide 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

2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154874
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
CID 106183031
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 104696903
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106180872) is 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is MGAREDNSIATFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3S/c11-6-2-9(8(13)3-7(6)12)19(17,18)15-5-1-10(16)14-4-5/h2-3,5,15H,1,4,13H2,(H,14,16).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 352.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106180872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).