1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine

C7H6BrN3O2S2 — CID 110868060

IUPAC1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine
SMILESNc1ccn(S(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C7H6BrN3O2S2/c8-5-1-2-7(14-5)15(12,13)11-4-3-6(9)10-11/h1-4H,(H2,9,10)
InChIKeyHAWBIETZSOVJIP-UHFFFAOYSA-N
MW308.18 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine

1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine (PubChem CID 110868060) has the molecular formula C7H6BrN3O2S2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine
PubChem CID110868060
Molecular FormulaC7H6BrN3O2S2
Molecular Weight308.18 g/mol
Exact Mass306.91
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine
SMILESNc1ccn(S(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C7H6BrN3O2S2/c8-5-1-2-7(14-5)15(12,13)11-4-3-6(9)10-11/h1-4H,(H2,9,10)
InChIKeyHAWBIETZSOVJIP-UHFFFAOYSA-N
XLogP1.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine (CID 110868060) is 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine is Nc1ccn(S(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine?
The InChIKey is HAWBIETZSOVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2S2/c8-5-1-2-7(14-5)15(12,13)11-4-3-6(9)10-11/h1-4H,(H2,9,10).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine?
1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine has a molecular weight of 308.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 110868060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).