5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide

C11H9BrCl2N2O2S2 — CID 106030714

IUPAC5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(Br)s1
InChIInChI=1S/C11H9BrCl2N2O2S2/c12-11-9(4-6(5-15)19-11)20(17,18)16-8-3-1-2-7(13)10(8)14/h1-4,16H,5,15H2
InChIKeyZYCNZCLIUBUXCV-UHFFFAOYSA-N
MW416.15 g/mol
LogP4.08
Rot. Bonds4

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

5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide (PubChem CID 106030714) has the molecular formula C11H9BrCl2N2O2S2 and a molecular weight of 416.15 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
PubChem CID106030714
Molecular FormulaC11H9BrCl2N2O2S2
Molecular Weight416.15 g/mol
Exact Mass413.87
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(Br)s1
InChIInChI=1S/C11H9BrCl2N2O2S2/c12-11-9(4-6(5-15)19-11)20(17,18)16-8-3-1-2-7(13)10(8)14/h1-4,16H,5,15H2
InChIKeyZYCNZCLIUBUXCV-UHFFFAOYSA-N
XLogP4.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.15
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 106030675
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide (CID 106030714) is 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide?
The InChIKey is ZYCNZCLIUBUXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O2S2/c12-11-9(4-6(5-15)19-11)20(17,18)16-8-3-1-2-7(13)10(8)14/h1-4,16H,5,15H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide has a molecular weight of 416.15 g/mol, XLogP of 4.08, 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-(2,3-dichlorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106030714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).