[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride

C14H15Cl2N3O2S2 — CID 130344908

IUPAC[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C14H13N3O2S2.2ClH/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11;;/h1-7,9-10H,8,15H2;2*1H
InChIKeyGSTXUXCUXOMXMV-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.07
Rot. Bonds4

About [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride

[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride (PubChem CID 130344908) has the molecular formula C14H15Cl2N3O2S2 and a molecular weight of 392.33 g/mol. Its IUPAC name is [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
PubChem CID130344908
Molecular FormulaC14H15Cl2N3O2S2
Molecular Weight392.33 g/mol
Exact Mass391.00
IUPAC Name[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C14H13N3O2S2.2ClH/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11;;/h1-7,9-10H,8,15H2;2*1H
InChIKeyGSTXUXCUXOMXMV-UHFFFAOYSA-N
XLogP3.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride?
The IUPAC name of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride (CID 130344908) is [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride is Cl.Cl.NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride?
The InChIKey is GSTXUXCUXOMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2.2ClH/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11;;/h1-7,9-10H,8,15H2;2*1H.
What are the key properties of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride?
[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 130344908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).