3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole

C16H14FNO2S2 — CID 22034364

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
SMILESCc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
InChIKeyUHGDAIAKKIZOFL-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.17
Rot. Bonds3

About 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole

3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole (PubChem CID 22034364) has the molecular formula C16H14FNO2S2 and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
PubChem CID22034364
Molecular FormulaC16H14FNO2S2
Molecular Weight335.43 g/mol
Exact Mass335.04
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole
SMILESCc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
InChIKeyUHGDAIAKKIZOFL-UHFFFAOYSA-N
XLogP4.17
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole (CID 22034364) is 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole is Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
The InChIKey is UHGDAIAKKIZOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole?
3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole has a molecular weight of 335.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-6-methylsulfonyl-1H-indole is sourced from PubChem (CID 22034364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).