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

C18H17NO3S2 — CID 130345231

IUPAC[5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCOc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C18H17NO3S2/c1-22-15-9-14(13-5-3-2-4-6-13)10-17(11-15)24(20,21)18-8-7-16(12-19)23-18/h2-11H,12,19H2,1H3
InChIKeyIAQUJSFJRPVUFB-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.72
Rot. Bonds5

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

[5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130345231) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130345231
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name[5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCOc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C18H17NO3S2/c1-22-15-9-14(13-5-3-2-4-6-13)10-17(11-15)24(20,21)18-8-7-16(12-19)23-18/h2-11H,12,19H2,1H3
InChIKeyIAQUJSFJRPVUFB-UHFFFAOYSA-N
XLogP3.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130345231) is [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine is COc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is IAQUJSFJRPVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-22-15-9-14(13-5-3-2-4-6-13)10-17(11-15)24(20,21)18-8-7-16(12-19)23-18/h2-11H,12,19H2,1H3.
What are the key properties of [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 359.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130345231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).