3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide

C10H6BrClINO2S2 — CID 107629908

IUPAC3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1sccc1Br
InChIInChI=1S/C10H6BrClINO2S2/c11-7-3-4-17-10(7)18(15,16)14-9-2-1-6(12)5-8(9)13/h1-5,14H
InChIKeyIJIANVBXZOZYID-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.57
Rot. Bonds3

About 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide

3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide (PubChem CID 107629908) has the molecular formula C10H6BrClINO2S2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
PubChem CID107629908
Molecular FormulaC10H6BrClINO2S2
Molecular Weight478.56 g/mol
Exact Mass476.78
IUPAC Name3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1sccc1Br
InChIInChI=1S/C10H6BrClINO2S2/c11-7-3-4-17-10(7)18(15,16)14-9-2-1-6(12)5-8(9)13/h1-5,14H
InChIKeyIJIANVBXZOZYID-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421
methyl 5-[(4-chloro-2-iodophenyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 107624866
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide (CID 107629908) is 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1I)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide?
The InChIKey is IJIANVBXZOZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClINO2S2/c11-7-3-4-17-10(7)18(15,16)14-9-2-1-6(12)5-8(9)13/h1-5,14H.
What are the key properties of 3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide?
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide has a molecular weight of 478.56 g/mol, XLogP of 4.57, 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-chloro-2-iodophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107629908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).