2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide

C11H15BrN4O2S2 — CID 106054649

IUPAC2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCn2cccn2)c(Br)s1
InChIInChI=1S/C11H15BrN4O2S2/c1-13-8-9-7-10(11(12)19-9)20(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7,13,15H,4,6,8H2,1H3
InChIKeyLWIRHTCSVHRGKM-UHFFFAOYSA-N
MW379.31 g/mol
LogP1.40
Rot. Bonds7

About 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide (PubChem CID 106054649) has the molecular formula C11H15BrN4O2S2 and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
PubChem CID106054649
Molecular FormulaC11H15BrN4O2S2
Molecular Weight379.31 g/mol
Exact Mass377.98
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCn2cccn2)c(Br)s1
InChIInChI=1S/C11H15BrN4O2S2/c1-13-8-9-7-10(11(12)19-9)20(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7,13,15H,4,6,8H2,1H3
InChIKeyLWIRHTCSVHRGKM-UHFFFAOYSA-N
XLogP1.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054518
2-bromo-5-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106635
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
2-bromo-N-[2-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085272
5-[2-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054648
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106058681
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide (CID 106054649) is 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCn2cccn2)c(Br)s1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
The InChIKey is LWIRHTCSVHRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S2/c1-13-8-9-7-10(11(12)19-9)20(17,18)15-4-6-16-5-2-3-14-16/h2-3,5,7,13,15H,4,6,8H2,1H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide has a molecular weight of 379.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106054649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).