5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide

C11H10BrIN2O2S2 — CID 106030310

IUPAC5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2I)c(Br)s1
InChIInChI=1S/C11H10BrIN2O2S2/c12-11-10(5-7(6-14)18-11)19(16,17)15-9-4-2-1-3-8(9)13/h1-5,15H,6,14H2
InChIKeyQFCWNTBGOUAHMD-UHFFFAOYSA-N
MW473.16 g/mol
LogP3.37
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide (PubChem CID 106030310) has the molecular formula C11H10BrIN2O2S2 and a molecular weight of 473.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
PubChem CID106030310
Molecular FormulaC11H10BrIN2O2S2
Molecular Weight473.16 g/mol
Exact Mass471.84
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccccc2I)c(Br)s1
InChIInChI=1S/C11H10BrIN2O2S2/c12-11-10(5-7(6-14)18-11)19(16,17)15-9-4-2-1-3-8(9)13/h1-5,15H,6,14H2
InChIKeyQFCWNTBGOUAHMD-UHFFFAOYSA-N
XLogP3.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.16
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide (CID 106030310) is 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccccc2I)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide?
The InChIKey is QFCWNTBGOUAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN2O2S2/c12-11-10(5-7(6-14)18-11)19(16,17)15-9-4-2-1-3-8(9)13/h1-5,15H,6,14H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide has a molecular weight of 473.16 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).