5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide

C12H9BrN2O2S2 — CID 60580032

IUPAC5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)s1
InChIInChI=1S/C12H9BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-9-1-2-10-8(7-9)5-6-14-10/h1-7,14-15H
InChIKeyWHCHHNIZBNOADJ-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide

5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide (PubChem CID 60580032) has the molecular formula C12H9BrN2O2S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide
PubChem CID60580032
Molecular FormulaC12H9BrN2O2S2
Molecular Weight357.25 g/mol
Exact Mass355.93
IUPAC Name5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)s1
InChIInChI=1S/C12H9BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-9-1-2-10-8(7-9)5-6-14-10/h1-7,14-15H
InChIKeyWHCHHNIZBNOADJ-UHFFFAOYSA-N
XLogP3.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide (CID 60580032) is 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide?
The InChIKey is WHCHHNIZBNOADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S2/c13-11-3-4-12(18-11)19(16,17)15-9-1-2-10-8(7-9)5-6-14-10/h1-7,14-15H.
What are the key properties of 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide?
5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide has a molecular weight of 357.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 60580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).