N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide

C7H10Cl2N2O2S2 — CID 43167116

IUPACN-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNCCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H10Cl2N2O2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3,10H2
InChIKeyHDFMCZGXPHXHLX-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.68
Rot. Bonds5

About N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide

N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43167116) has the molecular formula C7H10Cl2N2O2S2 and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43167116
Molecular FormulaC7H10Cl2N2O2S2
Molecular Weight289.21 g/mol
Exact Mass287.96
IUPAC NameN-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNCCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H10Cl2N2O2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3,10H2
InChIKeyHDFMCZGXPHXHLX-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71213402

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43167116) is N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide is NCCCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is HDFMCZGXPHXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O2S2/c8-6-4-5(7(9)14-6)15(12,13)11-3-1-2-10/h4,11H,1-3,10H2.
What are the key properties of N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 289.21 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43167116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).