methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate

C11H15Cl2NO4S2 — CID 43405598

IUPACmethyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO4S2/c1-18-10(15)5-3-2-4-6-14-20(16,17)8-7-9(12)19-11(8)13/h7,14H,2-6H2,1H3
InChIKeyVNTFLHMKPZPVHQ-UHFFFAOYSA-N
MW360.28 g/mol
LogP3.07
Rot. Bonds8

About methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate

methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate (PubChem CID 43405598) has the molecular formula C11H15Cl2NO4S2 and a molecular weight of 360.28 g/mol. Its IUPAC name is methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
PubChem CID43405598
Molecular FormulaC11H15Cl2NO4S2
Molecular Weight360.28 g/mol
Exact Mass358.98
IUPAC Namemethyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
SMILESCOC(=O)CCCCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO4S2/c1-18-10(15)5-3-2-4-6-14-20(16,17)8-7-9(12)19-11(8)13/h7,14H,2-6H2,1H3
InChIKeyVNTFLHMKPZPVHQ-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
methyl 6-[(2-bromo-4-methylphenyl)sulfonylamino]hexanoate
CID 43423584
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
methyl 6-[(3,5-difluorophenyl)sulfonylamino]hexanoate
CID 43409144
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate?
The IUPAC name of methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate (CID 43405598) is methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate.
What is the SMILES notation for methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate?
The canonical SMILES for methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate is COC(=O)CCCCCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate?
The InChIKey is VNTFLHMKPZPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO4S2/c1-18-10(15)5-3-2-4-6-14-20(16,17)8-7-9(12)19-11(8)13/h7,14H,2-6H2,1H3.
What are the key properties of methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate?
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate has a molecular weight of 360.28 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate is sourced from PubChem (CID 43405598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).