2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

C11H14BrNO4S2 — CID 82763426

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO4S2/c1-11(10(14)15)6-2-3-7(11)13-19(16,17)9-5-4-8(12)18-9/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyQMWYKBJPKYFXIH-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.43
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763426) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763426
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO4S2/c1-11(10(14)15)6-2-3-7(11)13-19(16,17)9-5-4-8(12)18-9/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyQMWYKBJPKYFXIH-UHFFFAOYSA-N
XLogP2.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763426) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QMWYKBJPKYFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c1-11(10(14)15)6-2-3-7(11)13-19(16,17)9-5-4-8(12)18-9/h4-5,7,13H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 368.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).