N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

C22H16ClNO3S — CID 2134445

IUPACN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClNO3S/c1-15-6-12-19(13-7-15)28(25,26)21-14-16-4-2-3-5-20(16)27-22(21)24-18-10-8-17(23)9-11-18/h2-14H,1H3/b24-22-
InChIKeyDLVJILPPMRWANQ-GYHWCHFESA-N
MW409.89 g/mol
LogP5.46
Rot. Bonds3

About N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine

N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (PubChem CID 2134445) has the molecular formula C22H16ClNO3S and a molecular weight of 409.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
PubChem CID2134445
Molecular FormulaC22H16ClNO3S
Molecular Weight409.89 g/mol
Exact Mass409.05
IUPAC NameN-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClNO3S/c1-15-6-12-19(13-7-15)28(25,26)21-14-16-4-2-3-5-20(16)27-22(21)24-18-10-8-17(23)9-11-18/h2-14H,1H3/b24-22-
InChIKeyDLVJILPPMRWANQ-GYHWCHFESA-N
XLogP5.46
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.89
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine (CID 2134445) is N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
The InChIKey is DLVJILPPMRWANQ-GYHWCHFESA-N. The full InChI is InChI=1S/C22H16ClNO3S/c1-15-6-12-19(13-7-15)28(25,26)21-14-16-4-2-3-5-20(16)27-22(21)24-18-10-8-17(23)9-11-18/h2-14H,1H3/b24-22-.
What are the key properties of N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine?
N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine has a molecular weight of 409.89 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylchromen-2-imine is sourced from PubChem (CID 2134445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).