3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine

C21H14FNO3S — CID 18592572

IUPAC3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F
InChIInChI=1S/C21H14FNO3S/c22-17-11-5-6-12-18(17)23-21-20(14-15-8-4-7-13-19(15)26-21)27(24,25)16-9-2-1-3-10-16/h1-14H/b23-21-
InChIKeyYKHXGRBHWGFFRL-LNVKXUELSA-N
MW379.41 g/mol
LogP4.64
Rot. Bonds3

About 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine

3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine (PubChem CID 18592572) has the molecular formula C21H14FNO3S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine
PubChem CID18592572
Molecular FormulaC21H14FNO3S
Molecular Weight379.41 g/mol
Exact Mass379.07
IUPAC Name3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine
SMILESO=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F
InChIInChI=1S/C21H14FNO3S/c22-17-11-5-6-12-18(17)23-21-20(14-15-8-4-7-13-19(15)26-21)27(24,25)16-9-2-1-3-10-16/h1-14H/b23-21-
InChIKeyYKHXGRBHWGFFRL-LNVKXUELSA-N
XLogP4.64
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine (CID 18592572) is 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine is O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine?
The InChIKey is YKHXGRBHWGFFRL-LNVKXUELSA-N. The full InChI is InChI=1S/C21H14FNO3S/c22-17-11-5-6-12-18(17)23-21-20(14-15-8-4-7-13-19(15)26-21)27(24,25)16-9-2-1-3-10-16/h1-14H/b23-21-.
What are the key properties of 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine?
3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine has a molecular weight of 379.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-fluorophenyl)chromen-2-imine is sourced from PubChem (CID 18592572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).