1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole

C19H17NO3S2 — CID 66758595

IUPAC1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccs4)c32)cc1
InChIInChI=1S/C19H17NO3S2/c1-23-15-7-9-16(10-8-15)25(21,22)20-12-11-14-4-2-5-17(19(14)20)18-6-3-13-24-18/h2-10,13H,11-12H2,1H3
InChIKeyRANWGATXZNNUCY-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole

1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole (PubChem CID 66758595) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole
PubChem CID66758595
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccs4)c32)cc1
InChIInChI=1S/C19H17NO3S2/c1-23-15-7-9-16(10-8-15)25(21,22)20-12-11-14-4-2-5-17(19(14)20)18-6-3-13-24-18/h2-10,13H,11-12H2,1H3
InChIKeyRANWGATXZNNUCY-UHFFFAOYSA-N
XLogP4.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole (CID 66758595) is 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccs4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole?
The InChIKey is RANWGATXZNNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-23-15-7-9-16(10-8-15)25(21,22)20-12-11-14-4-2-5-17(19(14)20)18-6-3-13-24-18/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole?
1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole has a molecular weight of 371.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole is sourced from PubChem (CID 66758595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).