N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide

C12H13BrN2O3S2 — CID 61031743

IUPACN-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
SMILESNc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H13BrN2O3S2/c13-11-5-6-12(19-11)20(16,17)15-7-8-18-10-3-1-9(14)2-4-10/h1-6,15H,7-8,14H2
InChIKeySSLAJXTWEVZXSC-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide

N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide (PubChem CID 61031743) has the molecular formula C12H13BrN2O3S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
PubChem CID61031743
Molecular FormulaC12H13BrN2O3S2
Molecular Weight377.29 g/mol
Exact Mass375.96
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
SMILESNc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H13BrN2O3S2/c13-11-5-6-12(19-11)20(16,17)15-7-8-18-10-3-1-9(14)2-4-10/h1-6,15H,7-8,14H2
InChIKeySSLAJXTWEVZXSC-UHFFFAOYSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.45
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

5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide (CID 61031743) is N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide is Nc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is SSLAJXTWEVZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S2/c13-11-5-6-12(19-11)20(16,17)15-7-8-18-10-3-1-9(14)2-4-10/h1-6,15H,7-8,14H2.
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide?
N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 377.29 g/mol, XLogP of 2.45, 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]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 61031743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).