5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide

C12H12BrNO3S2 — CID 3488993

IUPAC5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrNO3S2/c13-11-6-7-12(18-11)19(15,16)14-8-9-17-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyDEEKSTZCWUQVTI-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.87
Rot. Bonds6

About 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide

5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide (PubChem CID 3488993) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
PubChem CID3488993
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C12H12BrNO3S2/c13-11-6-7-12(18-11)19(15,16)14-8-9-17-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyDEEKSTZCWUQVTI-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-5-bromothiophene-2-sulfonamide
CID 61031743
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2229391
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-4-chloro-N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 80578862
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide (CID 3488993) is 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide is O=S(=O)(NCCOc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
The InChIKey is DEEKSTZCWUQVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c13-11-6-7-12(18-11)19(15,16)14-8-9-17-10-4-2-1-3-5-10/h1-7,14H,8-9H2.
What are the key properties of 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide?
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3488993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).