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

C19H20ClNO2S2 — CID 130344949

IUPAC[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.Cl
InChIInChI=1S/C19H19NO2S2.ClH/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19;/h3-12H,2,13,20H2,1H3;1H
InChIKeyKYSVBAXLRMJZDL-UHFFFAOYSA-N
MW393.96 g/mol
LogP4.69
Rot. Bonds5

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

[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride (PubChem CID 130344949) has the molecular formula C19H20ClNO2S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
PubChem CID130344949
Molecular FormulaC19H20ClNO2S2
Molecular Weight393.96 g/mol
Exact Mass393.06
IUPAC Name[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.Cl
InChIInChI=1S/C19H19NO2S2.ClH/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19;/h3-12H,2,13,20H2,1H3;1H
InChIKeyKYSVBAXLRMJZDL-UHFFFAOYSA-N
XLogP4.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cct365623
CID 130345035
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6461005
4-(Biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
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[3-Fluoro-5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344958
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345158
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345159
(5-Naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
CID 130345191
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345200
US10807974, Example 80
CID 130358062
1-[5-(benzenesulfonyl)-4-phenylthiophen-2-yl]-N-methylmethanamine
CID 118728086
1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine
CID 118728087
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride (CID 130344949) is [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride is CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.Cl.
What is the InChIKey of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
The InChIKey is KYSVBAXLRMJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2.ClH/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19;/h3-12H,2,13,20H2,1H3;1H.
What are the key properties of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride?
[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130344949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).