2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H12BrF2NO4S — CID 64817397

IUPAC2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H12BrF2NO4S/c13-8-4-6(14)5-9(15)11(8)21(19,20)16-10-3-1-2-7(10)12(17)18/h4-5,7,10,16H,1-3H2,(H,17,18)
InChIKeyYQQCBXLLMOZHRQ-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.26
Rot. Bonds4

About 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817397) has the molecular formula C12H12BrF2NO4S and a molecular weight of 384.20 g/mol. Its IUPAC name is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID64817397
Molecular FormulaC12H12BrF2NO4S
Molecular Weight384.20 g/mol
Exact Mass382.96
IUPAC Name2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H12BrF2NO4S/c13-8-4-6(14)5-9(15)11(8)21(19,20)16-10-3-1-2-7(10)12(17)18/h4-5,7,10,16H,1-3H2,(H,17,18)
InChIKeyYQQCBXLLMOZHRQ-UHFFFAOYSA-N
XLogP2.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 61217293
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
2-bromo-4,6-difluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79117967
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
2-bromo-N-(1,1-dioxothian-4-yl)-4,6-difluorobenzenesulfonamide
CID 60824231
2-bromo-N-(1,1-dioxothian-3-yl)-4,6-difluorobenzenesulfonamide
CID 63924568
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 64817397) is 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YQQCBXLLMOZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO4S/c13-8-4-6(14)5-9(15)11(8)21(19,20)16-10-3-1-2-7(10)12(17)18/h4-5,7,10,16H,1-3H2,(H,17,18).
What are the key properties of 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 384.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).