5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide

C12H11Br3N2O2S2 — CID 106002359

IUPAC5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(CN)sc2Br)c(Br)c1
InChIInChI=1S/C12H11Br3N2O2S2/c1-6-2-8(13)11(9(14)3-6)17-21(18,19)10-4-7(5-16)20-12(10)15/h2-4,17H,5,16H2,1H3
InChIKeyPRJRJOGFXUFJKV-UHFFFAOYSA-N
MW519.08 g/mol
LogP4.60
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide (PubChem CID 106002359) has the molecular formula C12H11Br3N2O2S2 and a molecular weight of 519.08 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
PubChem CID106002359
Molecular FormulaC12H11Br3N2O2S2
Molecular Weight519.08 g/mol
Exact Mass515.78
IUPAC Name5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(CN)sc2Br)c(Br)c1
InChIInChI=1S/C12H11Br3N2O2S2/c1-6-2-8(13)11(9(14)3-6)17-21(18,19)10-4-7(5-16)20-12(10)15/h2-4,17H,5,16H2,1H3
InChIKeyPRJRJOGFXUFJKV-UHFFFAOYSA-N
XLogP4.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.08
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106076839
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
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-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide (CID 106002359) is 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cc(CN)sc2Br)c(Br)c1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is PRJRJOGFXUFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br3N2O2S2/c1-6-2-8(13)11(9(14)3-6)17-21(18,19)10-4-7(5-16)20-12(10)15/h2-4,17H,5,16H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 519.08 g/mol, XLogP of 4.60, 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-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106002359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).