1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine

C18H17NO2S2 — CID 118728087

IUPAC1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17NO2S2/c1-19-13-15-12-17(18(22-15)14-8-4-2-5-9-14)23(20,21)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3
InChIKeyZBFMKGJRZVJLIO-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine

1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine (PubChem CID 118728087) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine
PubChem CID118728087
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17NO2S2/c1-19-13-15-12-17(18(22-15)14-8-4-2-5-9-14)23(20,21)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3
InChIKeyZBFMKGJRZVJLIO-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine (CID 118728087) is 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is ZBFMKGJRZVJLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-19-13-15-12-17(18(22-15)14-8-4-2-5-9-14)23(20,21)16-10-6-3-7-11-16/h2-12,19H,13H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine?
1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 343.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-5-phenylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 118728087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).