5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide

C13H13BrClNO2S2 — CID 80579944

IUPAC5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-2-5-9-6-3-4-7-11(9)16-20(17,18)12-8-10(15)13(14)19-12/h3-4,6-8,16H,2,5H2,1H3
InChIKeyJIAKEYKITYJGAB-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.92
Rot. Bonds5

About 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide (PubChem CID 80579944) has the molecular formula C13H13BrClNO2S2 and a molecular weight of 394.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
PubChem CID80579944
Molecular FormulaC13H13BrClNO2S2
Molecular Weight394.74 g/mol
Exact Mass392.93
IUPAC Name5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-2-5-9-6-3-4-7-11(9)16-20(17,18)12-8-10(15)13(14)19-12/h3-4,6-8,16H,2,5H2,1H3
InChIKeyJIAKEYKITYJGAB-UHFFFAOYSA-N
XLogP4.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide (CID 80579944) is 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide is CCCc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide?
The InChIKey is JIAKEYKITYJGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S2/c1-2-5-9-6-3-4-7-11(9)16-20(17,18)12-8-10(15)13(14)19-12/h3-4,6-8,16H,2,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide has a molecular weight of 394.74 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80579944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).