3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide

C10H5Br2Cl2NO2S2 — CID 61456465

IUPAC3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C10H5Br2Cl2NO2S2/c11-5-3-7(13)9(8(14)4-5)15-19(16,17)10-6(12)1-2-18-10/h1-4,15H
InChIKeyXKNDLAOUKHXQFC-UHFFFAOYSA-N
MW466.00 g/mol
LogP5.38
Rot. Bonds3

About 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide

3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide (PubChem CID 61456465) has the molecular formula C10H5Br2Cl2NO2S2 and a molecular weight of 466.00 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
PubChem CID61456465
Molecular FormulaC10H5Br2Cl2NO2S2
Molecular Weight466.00 g/mol
Exact Mass462.75
IUPAC Name3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1sccc1Br
InChIInChI=1S/C10H5Br2Cl2NO2S2/c11-5-3-7(13)9(8(14)4-5)15-19(16,17)10-6(12)1-2-18-10/h1-4,15H
InChIKeyXKNDLAOUKHXQFC-UHFFFAOYSA-N
XLogP5.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.00
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide (CID 61456465) is 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is XKNDLAOUKHXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2Cl2NO2S2/c11-5-3-7(13)9(8(14)4-5)15-19(16,17)10-6(12)1-2-18-10/h1-4,15H.
What are the key properties of 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide?
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 466.00 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).