N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide

C12H12Cl2N2O3S2 — CID 61031745

IUPACN-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1ccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C12H12Cl2N2O3S2/c13-11-7-10(12(14)20-11)21(17,18)16-5-6-19-9-3-1-8(15)2-4-9/h1-4,7,16H,5-6,15H2
InChIKeyRUVONISGNNNIGQ-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide

N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 61031745) has the molecular formula C12H12Cl2N2O3S2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID61031745
Molecular FormulaC12H12Cl2N2O3S2
Molecular Weight367.28 g/mol
Exact Mass365.97
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1ccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C12H12Cl2N2O3S2/c13-11-7-10(12(14)20-11)21(17,18)16-5-6-19-9-3-1-8(15)2-4-9/h1-4,7,16H,5-6,15H2
InChIKeyRUVONISGNNNIGQ-UHFFFAOYSA-N
XLogP2.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
CID 61031743
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide (CID 61031745) is N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide is Nc1ccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is RUVONISGNNNIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S2/c13-11-7-10(12(14)20-11)21(17,18)16-5-6-19-9-3-1-8(15)2-4-9/h1-4,7,16H,5-6,15H2.
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 367.28 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 61031745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).