5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide

C12H12Br2N2O2S2 — CID 106007333

IUPAC5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2N2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-4-8(13)2-3-10(11)14/h2-5,16H,6,15H2,1H3
InChIKeyFGEDFGSJYIUVAM-UHFFFAOYSA-N
MW440.18 g/mol
LogP3.84
Rot. Bonds4

About 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106007333) has the molecular formula C12H12Br2N2O2S2 and a molecular weight of 440.18 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
PubChem CID106007333
Molecular FormulaC12H12Br2N2O2S2
Molecular Weight440.18 g/mol
Exact Mass437.87
IUPAC Name5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C12H12Br2N2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-4-8(13)2-3-10(11)14/h2-5,16H,6,15H2,1H3
InChIKeyFGEDFGSJYIUVAM-UHFFFAOYSA-N
XLogP3.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 106052167
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
5-(aminomethyl)-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088723
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide (CID 106007333) is 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is FGEDFGSJYIUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2S2/c1-7-12(5-9(6-15)19-7)20(17,18)16-11-4-8(13)2-3-10(11)14/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 440.18 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106007333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).