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

C22H17NO3S — CID 46255920

IUPAC3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine
SMILESCc1ccccc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17NO3S/c1-16-9-5-7-13-19(16)23-22-21(15-17-10-6-8-14-20(17)26-22)27(24,25)18-11-3-2-4-12-18/h2-15H,1H3/b23-22-
InChIKeyGFBFIARSTVCEDV-FCQUAONHSA-N
MW375.45 g/mol
LogP4.81
Rot. Bonds3

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

3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine (PubChem CID 46255920) has the molecular formula C22H17NO3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine
PubChem CID46255920
Molecular FormulaC22H17NO3S
Molecular Weight375.45 g/mol
Exact Mass375.09
IUPAC Name3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine
SMILESCc1ccccc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H17NO3S/c1-16-9-5-7-13-19(16)23-22-21(15-17-10-6-8-14-20(17)26-22)27(24,25)18-11-3-2-4-12-18/h2-15H,1H3/b23-22-
InChIKeyGFBFIARSTVCEDV-FCQUAONHSA-N
XLogP4.81
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.81
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-methylphenyl)chromen-2-imine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine (CID 46255920) is 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine is Cc1ccccc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine?
The InChIKey is GFBFIARSTVCEDV-FCQUAONHSA-N. The full InChI is InChI=1S/C22H17NO3S/c1-16-9-5-7-13-19(16)23-22-21(15-17-10-6-8-14-20(17)26-22)27(24,25)18-11-3-2-4-12-18/h2-15H,1H3/b23-22-.
What are the key properties of 3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine?
3-(benzenesulfonyl)-N-(2-methylphenyl)chromen-2-imine has a molecular weight of 375.45 g/mol, XLogP of 4.81, 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-methylphenyl)chromen-2-imine is sourced from PubChem (CID 46255920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).