5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide

C12H12BrFN2O2S2 — CID 106070077

IUPAC5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCNCc1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1F
InChIInChI=1S/C12H12BrFN2O2S2/c1-15-6-8-4-9(13)5-11(12(8)14)20(17,18)16-10-2-3-19-7-10/h2-5,7,15-16H,6H2,1H3
InChIKeyQGOYXASJFFKSJO-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.17
Rot. Bonds5

About 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide

5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106070077) has the molecular formula C12H12BrFN2O2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106070077
Molecular FormulaC12H12BrFN2O2S2
Molecular Weight379.28 g/mol
Exact Mass377.95
IUPAC Name5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCNCc1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1F
InChIInChI=1S/C12H12BrFN2O2S2/c1-15-6-8-4-9(13)5-11(12(8)14)20(17,18)16-10-2-3-19-7-10/h2-5,7,15-16H,6H2,1H3
InChIKeyQGOYXASJFFKSJO-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600
5-bromo-N-[2-(dimethylamino)ethyl]-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032600
5-bromo-2-fluoro-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058320
5-bromo-2-fluoro-3-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018935
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106065829
4-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-2-sulfonamide
CID 114141603
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide (CID 106070077) is 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide is CNCc1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is QGOYXASJFFKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2S2/c1-15-6-8-4-9(13)5-11(12(8)14)20(17,18)16-10-2-3-19-7-10/h2-5,7,15-16H,6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(methylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106070077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).