3-[(4-chlorophenyl)methylsulfonyl]-1H-indole

C15H12ClNO2S — CID 751485

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-1H-indole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)10-20(18,19)15-9-17-14-4-2-1-3-13(14)15/h1-9,17H,10H2
InChIKeyOBYHDZWLDGEAMP-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.80
Rot. Bonds3

About 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole

3-[(4-chlorophenyl)methylsulfonyl]-1H-indole (PubChem CID 751485) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-1H-indole
PubChem CID751485
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-1H-indole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)10-20(18,19)15-9-17-14-4-2-1-3-13(14)15/h1-9,17H,10H2
InChIKeyOBYHDZWLDGEAMP-UHFFFAOYSA-N
XLogP3.80
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole (CID 751485) is 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole is O=S(=O)(Cc1ccc(Cl)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole?
The InChIKey is OBYHDZWLDGEAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-12-7-5-11(6-8-12)10-20(18,19)15-9-17-14-4-2-1-3-13(14)15/h1-9,17H,10H2.
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole?
3-[(4-chlorophenyl)methylsulfonyl]-1H-indole has a molecular weight of 305.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-1H-indole is sourced from PubChem (CID 751485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).