1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene

C16H13ClF2O2S — CID 24875987

IUPAC1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c21
InChIInChI=1S/C16H13ClF2O2S/c1-9-8-14(16-13(19)7-6-12(18)15(9)16)22(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3
InChIKeyBQLDQNLXKDPKAM-UHFFFAOYSA-N
MW342.79 g/mol
LogP4.64
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene

1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene (PubChem CID 24875987) has the molecular formula C16H13ClF2O2S and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene
PubChem CID24875987
Molecular FormulaC16H13ClF2O2S
Molecular Weight342.79 g/mol
Exact Mass342.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene
SMILESCC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c21
InChIInChI=1S/C16H13ClF2O2S/c1-9-8-14(16-13(19)7-6-12(18)15(9)16)22(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3
InChIKeyBQLDQNLXKDPKAM-UHFFFAOYSA-N
XLogP4.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene (CID 24875987) is 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene is CC1CC(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene?
The InChIKey is BQLDQNLXKDPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2S/c1-9-8-14(16-13(19)7-6-12(18)15(9)16)22(20,21)11-4-2-10(17)3-5-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene?
1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene has a molecular weight of 342.79 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4,7-difluoro-3-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 24875987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).