5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide

C14H12BrNO4S3 — CID 121019297

IUPAC5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(-c2ccsc2)o1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrNO4S3/c15-13-3-4-14(22-13)23(18,19)16-7-10(17)12-2-1-11(20-12)9-5-6-21-8-9/h1-6,8,10,16-17H,7H2
InChIKeyIOXACSGSXSROON-UHFFFAOYSA-N
MW434.36 g/mol
LogP3.84
Rot. Bonds6

About 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 121019297) has the molecular formula C14H12BrNO4S3 and a molecular weight of 434.36 g/mol. Its IUPAC name is 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID121019297
Molecular FormulaC14H12BrNO4S3
Molecular Weight434.36 g/mol
Exact Mass432.91
IUPAC Name5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(-c2ccsc2)o1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrNO4S3/c15-13-3-4-14(22-13)23(18,19)16-7-10(17)12-2-1-11(20-12)9-5-6-21-8-9/h1-6,8,10,16-17H,7H2
InChIKeyIOXACSGSXSROON-UHFFFAOYSA-N
XLogP3.84
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide (CID 121019297) is 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(O)c1ccc(-c2ccsc2)o1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IOXACSGSXSROON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S3/c15-13-3-4-14(22-13)23(18,19)16-7-10(17)12-2-1-11(20-12)9-5-6-21-8-9/h1-6,8,10,16-17H,7H2.
What are the key properties of 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 434.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121019297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).