2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid

C8H8Cl2N2O5S2 — CID 43386864

IUPAC2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2N2O5S2/c9-5-1-4(8(10)18-5)19(16,17)12-2-6(13)11-3-7(14)15/h1,12H,2-3H2,(H,11,13)(H,14,15)
InChIKeyHGRLQVXORKIQQU-UHFFFAOYSA-N
MW347.20 g/mol
LogP0.53
Rot. Bonds6

About 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 43386864) has the molecular formula C8H8Cl2N2O5S2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID43386864
Molecular FormulaC8H8Cl2N2O5S2
Molecular Weight347.20 g/mol
Exact Mass345.93
IUPAC Name2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H8Cl2N2O5S2/c9-5-1-4(8(10)18-5)19(16,17)12-2-6(13)11-3-7(14)15/h1,12H,2-3H2,(H,11,13)(H,14,15)
InChIKeyHGRLQVXORKIQQU-UHFFFAOYSA-N
XLogP0.53
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid with MolForge

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Related Compounds

2-[[2-[(2-chloro-5-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 115610703
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
2-[[2-[(2-chloro-4-cyanophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103988510
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid (CID 43386864) is 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is HGRLQVXORKIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O5S2/c9-5-1-4(8(10)18-5)19(16,17)12-2-6(13)11-3-7(14)15/h1,12H,2-3H2,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 347.20 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43386864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).