2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid

C8H10ClNO4S2 — CID 73356503

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO4S2/c9-7-2-1-6(15-7)3-4-16(13,14)10-5-8(11)12/h1-2,10H,3-5H2,(H,11,12)
InChIKeyOEXQBZKLEMTXMU-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid

2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid (PubChem CID 73356503) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
PubChem CID73356503
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO4S2/c9-7-2-1-6(15-7)3-4-16(13,14)10-5-8(11)12/h1-2,10H,3-5H2,(H,11,12)
InChIKeyOEXQBZKLEMTXMU-UHFFFAOYSA-N
XLogP0.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
N-[(5-chlorothiophen-2-yl)methyl]propane-1-sulfonamide
CID 47071854
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid (CID 73356503) is 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid?
The InChIKey is OEXQBZKLEMTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c9-7-2-1-6(15-7)3-4-16(13,14)10-5-8(11)12/h1-2,10H,3-5H2,(H,11,12).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid?
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid has a molecular weight of 283.76 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid is sourced from PubChem (CID 73356503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).