[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride

C17H16ClNO2S2 — CID 155535188

IUPAC[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C17H15NO2S2.ClH/c18-12-15-9-10-17(21-15)22(19,20)16-8-4-7-14(11-16)13-5-2-1-3-6-13;/h1-11H,12,18H2;1H
InChIKeyLAHSBIHOBPJDLD-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.13
Rot. Bonds4

About [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride

[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride (PubChem CID 155535188) has the molecular formula C17H16ClNO2S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
PubChem CID155535188
Molecular FormulaC17H16ClNO2S2
Molecular Weight365.91 g/mol
Exact Mass365.03
IUPAC Name[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C17H15NO2S2.ClH/c18-12-15-9-10-17(21-15)22(19,20)16-8-4-7-14(11-16)13-5-2-1-3-6-13;/h1-11H,12,18H2;1H
InChIKeyLAHSBIHOBPJDLD-UHFFFAOYSA-N
XLogP4.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride (CID 155535188) is [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride is Cl.NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The InChIKey is LAHSBIHOBPJDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S2.ClH/c18-12-15-9-10-17(21-15)22(19,20)16-8-4-7-14(11-16)13-5-2-1-3-6-13;/h1-11H,12,18H2;1H.
What are the key properties of [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
[5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 155535188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).