2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid

C11H13Br2NO4S2 — CID 64672751

IUPAC2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(Br)sc2Br)CCCC1
InChIInChI=1S/C11H13Br2NO4S2/c12-8-5-7(10(13)19-8)20(17,18)14-11(6-9(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeyXRGQKXGEVCNHOK-UHFFFAOYSA-N
MW447.17 g/mol
LogP3.34
Rot. Bonds5

About 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid

2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid (PubChem CID 64672751) has the molecular formula C11H13Br2NO4S2 and a molecular weight of 447.17 g/mol. Its IUPAC name is 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
PubChem CID64672751
Molecular FormulaC11H13Br2NO4S2
Molecular Weight447.17 g/mol
Exact Mass444.87
IUPAC Name2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(Br)sc2Br)CCCC1
InChIInChI=1S/C11H13Br2NO4S2/c12-8-5-7(10(13)19-8)20(17,18)14-11(6-9(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeyXRGQKXGEVCNHOK-UHFFFAOYSA-N
XLogP3.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
methyl 5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]thiophene-2-carboxylate
CID 104600258
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]oxyacetic acid
CID 60661178
2-[1-[(5-chloro-2-methylthiophen-3-yl)sulfonylamino]cyclopropyl]acetic acid
CID 166283596
2-[1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43804803
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
2-[1-[(2,4,6-trichlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844855
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
2-[1-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103932825
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
2-[1-[[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81165466

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid (CID 64672751) is 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cc(Br)sc2Br)CCCC1.
What is the InChIKey of 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid?
The InChIKey is XRGQKXGEVCNHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO4S2/c12-8-5-7(10(13)19-8)20(17,18)14-11(6-9(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16).
What are the key properties of 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid?
2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid has a molecular weight of 447.17 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dibromothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).