1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

C11H12BrNO4S — CID 71246784

IUPAC1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccccc2Br)CCC1
InChIInChI=1S/C11H12BrNO4S/c12-8-4-1-2-5-9(8)18(16,17)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeyZHWGLDXUMINQMM-UHFFFAOYSA-N
MW334.19 g/mol
LogP1.73
Rot. Bonds4

About 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid

1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 71246784) has the molecular formula C11H12BrNO4S and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID71246784
Molecular FormulaC11H12BrNO4S
Molecular Weight334.19 g/mol
Exact Mass332.97
IUPAC Name1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccccc2Br)CCC1
InChIInChI=1S/C11H12BrNO4S/c12-8-4-1-2-5-9(8)18(16,17)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15)
InChIKeyZHWGLDXUMINQMM-UHFFFAOYSA-N
XLogP1.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81164987
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CID 81164226
1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 114795458
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CID 142344597
1-(2-bromophenyl)sulfonylcyclobutane-1-carboxylic acid
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CID 43245132
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
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1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-[(2-methyl-3-nitrophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164856
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid (CID 71246784) is 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccccc2Br)CCC1.
What is the InChIKey of 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is ZHWGLDXUMINQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4S/c12-8-4-1-2-5-9(8)18(16,17)13-11(10(14)15)6-3-7-11/h1-2,4-5,13H,3,6-7H2,(H,14,15).
What are the key properties of 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid?
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 334.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 71246784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).