5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole

C23H18FNO2S — CID 58119401

IUPAC5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole
SMILESO=S(=O)(c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)C1CC1
InChIInChI=1S/C23H18FNO2S/c24-21-4-2-1-3-20(21)15-5-7-16(8-6-15)23-14-17-13-19(11-12-22(17)25-23)28(26,27)18-9-10-18/h1-8,11-13,18H,9-10,14H2
InChIKeyZTFQVGMWENFEKA-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.11
Rot. Bonds4

About 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole

5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole (PubChem CID 58119401) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole
PubChem CID58119401
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC Name5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole
SMILESO=S(=O)(c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)C1CC1
InChIInChI=1S/C23H18FNO2S/c24-21-4-2-1-3-20(21)15-5-7-16(8-6-15)23-14-17-13-19(11-12-22(17)25-23)28(26,27)18-9-10-18/h1-8,11-13,18H,9-10,14H2
InChIKeyZTFQVGMWENFEKA-UHFFFAOYSA-N
XLogP5.11
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The IUPAC name of 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole (CID 58119401) is 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole.
What is the SMILES notation for 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The canonical SMILES for 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole is O=S(=O)(c1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)C1CC1.
What is the InChIKey of 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The InChIKey is ZTFQVGMWENFEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c24-21-4-2-1-3-20(21)15-5-7-16(8-6-15)23-14-17-13-19(11-12-22(17)25-23)28(26,27)18-9-10-18/h1-8,11-13,18H,9-10,14H2.
What are the key properties of 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole has a molecular weight of 391.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-2-[4-(2-fluorophenyl)phenyl]-3H-indole is sourced from PubChem (CID 58119401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).