1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

C11H13BrFN3O4S — CID 116530113

IUPAC1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C11H13BrFN3O4S/c12-6-2-7(13)10(3-8(6)14)21(19,20)16-4-5(17)1-9(16)11(15)18/h2-3,5,9,17H,1,4,14H2,(H2,15,18)
InChIKeyXWRSLOXWVBHIGC-UHFFFAOYSA-N
MW382.21 g/mol
LogP-0.22
Rot. Bonds3

About 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 116530113) has the molecular formula C11H13BrFN3O4S and a molecular weight of 382.21 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID116530113
Molecular FormulaC11H13BrFN3O4S
Molecular Weight382.21 g/mol
Exact Mass380.98
IUPAC Name1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1cc(N)c(Br)cc1F
InChIInChI=1S/C11H13BrFN3O4S/c12-6-2-7(13)10(3-8(6)14)21(19,20)16-4-5(17)1-9(16)11(15)18/h2-3,5,9,17H,1,4,14H2,(H2,15,18)
InChIKeyXWRSLOXWVBHIGC-UHFFFAOYSA-N
XLogP-0.22
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-fluoro-5-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 115421373
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952079
1-(2,4-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 43089772
(2R,4R)-1-(4-chloro-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999468
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
CID 116529299
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (CID 116530113) is 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1S(=O)(=O)c1cc(N)c(Br)cc1F.
What is the InChIKey of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is XWRSLOXWVBHIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O4S/c12-6-2-7(13)10(3-8(6)14)21(19,20)16-4-5(17)1-9(16)11(15)18/h2-3,5,9,17H,1,4,14H2,(H2,15,18).
What are the key properties of 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 382.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 116530113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).