5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide

C11H9Br2ClN2O2S2 — CID 106073516

IUPAC5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)s1
InChIInChI=1S/C11H9Br2ClN2O2S2/c12-8-3-6(14)1-2-9(8)16-20(17,18)10-4-7(5-15)19-11(10)13/h1-4,16H,5,15H2
InChIKeyJYUFJTBAOGZZPX-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.19
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide (PubChem CID 106073516) has the molecular formula C11H9Br2ClN2O2S2 and a molecular weight of 460.60 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
PubChem CID106073516
Molecular FormulaC11H9Br2ClN2O2S2
Molecular Weight460.60 g/mol
Exact Mass457.82
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)s1
InChIInChI=1S/C11H9Br2ClN2O2S2/c12-8-3-6(14)1-2-9(8)16-20(17,18)10-4-7(5-15)19-11(10)13/h1-4,16H,5,15H2
InChIKeyJYUFJTBAOGZZPX-UHFFFAOYSA-N
XLogP4.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.19
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-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide (CID 106073516) is 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide?
The InChIKey is JYUFJTBAOGZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2ClN2O2S2/c12-8-3-6(14)1-2-9(8)16-20(17,18)10-4-7(5-15)19-11(10)13/h1-4,16H,5,15H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide has a molecular weight of 460.60 g/mol, XLogP of 4.19, 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-bromo-4-chlorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106073516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).