1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid

C8H7BrO4S2 — CID 117032269

IUPAC1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C8H7BrO4S2/c9-5-1-2-6(14-5)15(12,13)8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11)
InChIKeySMUOURAPVLBKKZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.90
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid

1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid (PubChem CID 117032269) has the molecular formula C8H7BrO4S2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid
PubChem CID117032269
Molecular FormulaC8H7BrO4S2
Molecular Weight311.18 g/mol
Exact Mass309.90
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C8H7BrO4S2/c9-5-1-2-6(14-5)15(12,13)8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11)
InChIKeySMUOURAPVLBKKZ-UHFFFAOYSA-N
XLogP1.90
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid 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-(5-bromothiophen-2-yl)sulfonylcyclopropan-1-amine
CID 117037932
1-(4-bromothiophen-2-yl)sulfonylcyclobutane-1-carboxylic acid
CID 116855385
1-(5-bromothiophen-2-yl)sulfonyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982946
2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763426
1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 7131932
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352
1-(2-bromophenyl)sulfonylcyclobutane-1-carboxylic acid
CID 16777928
1-(5-bromothiophen-2-yl)sulfonylpropan-2-one
CID 28753742
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
1-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 66023531
2-[1-(5-bromothiophen-2-yl)sulfonylazetidin-3-yl]acetic acid
CID 64619030

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid (CID 117032269) is 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid?
The InChIKey is SMUOURAPVLBKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO4S2/c9-5-1-2-6(14-5)15(12,13)8(3-4-8)7(10)11/h1-2H,3-4H2,(H,10,11).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid?
1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid has a molecular weight of 311.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 117032269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).