7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole

C16H14FNO2S — CID 146164619

IUPAC7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
SMILESCc1ccc(S(=O)(=O)Cc2c[nH]c3c(F)cccc23)cc1
InChIInChI=1S/C16H14FNO2S/c1-11-5-7-13(8-6-11)21(19,20)10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3
InChIKeyOSBOYBJNOMJZEH-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.59
Rot. Bonds3

About 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole

7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole (PubChem CID 146164619) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
PubChem CID146164619
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
SMILESCc1ccc(S(=O)(=O)Cc2c[nH]c3c(F)cccc23)cc1
InChIInChI=1S/C16H14FNO2S/c1-11-5-7-13(8-6-11)21(19,20)10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3
InChIKeyOSBOYBJNOMJZEH-UHFFFAOYSA-N
XLogP3.59
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole?
The IUPAC name of 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole (CID 146164619) is 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole.
What is the SMILES notation for 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole?
The canonical SMILES for 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole is Cc1ccc(S(=O)(=O)Cc2c[nH]c3c(F)cccc23)cc1.
What is the InChIKey of 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole?
The InChIKey is OSBOYBJNOMJZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-11-5-7-13(8-6-11)21(19,20)10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3.
What are the key properties of 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole?
7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole has a molecular weight of 303.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole is sourced from PubChem (CID 146164619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).