[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C21H17ClFNO4S — CID 18504025

IUPAC[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1c(Cl)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H17ClFNO4S/c1-27-21-17(22)7-8-18-19(21)15-6-5-12(11-29(24,25)26)9-16(15)20(28-18)13-3-2-4-14(23)10-13/h2-10,20H,11H2,1H3,(H2,24,25,26)
InChIKeyOPHYRNLDORLKPF-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.43
Rot. Bonds4

About [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18504025) has the molecular formula C21H17ClFNO4S and a molecular weight of 433.89 g/mol. Its IUPAC name is [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18504025
Molecular FormulaC21H17ClFNO4S
Molecular Weight433.89 g/mol
Exact Mass433.06
IUPAC Name[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1c(Cl)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C21H17ClFNO4S/c1-27-21-17(22)7-8-18-19(21)15-6-5-12(11-29(24,25)26)9-16(15)20(28-18)13-3-2-4-14(23)10-13/h2-10,20H,11H2,1H3,(H2,24,25,26)
InChIKeyOPHYRNLDORLKPF-UHFFFAOYSA-N
XLogP4.43
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18504025) is [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1c(Cl)ccc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OPHYRNLDORLKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO4S/c1-27-21-17(22)7-8-18-19(21)15-6-5-12(11-29(24,25)26)9-16(15)20(28-18)13-3-2-4-14(23)10-13/h2-10,20H,11H2,1H3,(H2,24,25,26).
What are the key properties of [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 433.89 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18504025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).