5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide

C10H9BrClNO2S3 — CID 113225799

IUPAC5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccc(Br)s1
InChIInChI=1S/C10H9BrClNO2S3/c11-8-2-4-10(17-8)18(14,15)13-6-5-7-1-3-9(12)16-7/h1-4,13H,5-6H2
InChIKeyIIWREBOTIJOPJJ-UHFFFAOYSA-N
MW386.75 g/mol
LogP3.75
Rot. Bonds5

About 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 113225799) has the molecular formula C10H9BrClNO2S3 and a molecular weight of 386.75 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID113225799
Molecular FormulaC10H9BrClNO2S3
Molecular Weight386.75 g/mol
Exact Mass384.87
IUPAC Name5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccc(Br)s1
InChIInChI=1S/C10H9BrClNO2S3/c11-8-2-4-10(17-8)18(14,15)13-6-5-7-1-3-9(12)16-7/h1-4,13H,5-6H2
InChIKeyIIWREBOTIJOPJJ-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247
4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 106095152
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 103606955
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 113225799) is 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc(Cl)s1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IIWREBOTIJOPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO2S3/c11-8-2-4-10(17-8)18(14,15)13-6-5-7-1-3-9(12)16-7/h1-4,13H,5-6H2.
What are the key properties of 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 386.75 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113225799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).