5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide

C15H18BrNO3S2 — CID 2229391

IUPAC5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCCCc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNO3S2/c1-2-3-12-4-6-13(7-5-12)20-11-10-17-22(18,19)15-9-8-14(16)21-15/h4-9,17H,2-3,10-11H2,1H3
InChIKeyFHYOTUIFDAWMMB-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.82
Rot. Bonds8

About 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 2229391) has the molecular formula C15H18BrNO3S2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID2229391
Molecular FormulaC15H18BrNO3S2
Molecular Weight404.35 g/mol
Exact Mass402.99
IUPAC Name5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCCCc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNO3S2/c1-2-3-12-4-6-13(7-5-12)20-11-10-17-22(18,19)15-9-8-14(16)21-15/h4-9,17H,2-3,10-11H2,1H3
InChIKeyFHYOTUIFDAWMMB-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.82
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-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
3,5-dimethyl-N-[2-(4-propylphenoxy)ethyl]-1,2-oxazole-4-sulfonamide
CID 100564276
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide (CID 2229391) is 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide is CCCc1ccc(OCCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is FHYOTUIFDAWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S2/c1-2-3-12-4-6-13(7-5-12)20-11-10-17-22(18,19)15-9-8-14(16)21-15/h4-9,17H,2-3,10-11H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 404.35 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-propylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2229391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).