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

C20H15ClFNO3S — CID 18188775

IUPAC[1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(Cl)c1-2
InChIInChI=1S/C20H15ClFNO3S/c21-17-5-2-6-18-19(17)15-8-7-12(11-27(23,24)25)9-16(15)20(26-18)13-3-1-4-14(22)10-13/h1-10,20H,11H2,(H2,23,24,25)
InChIKeyOIFMDXJHGYPPQJ-UHFFFAOYSA-N
MW403.86 g/mol
LogP4.42
Rot. Bonds3

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

[1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188775) has the molecular formula C20H15ClFNO3S and a molecular weight of 403.86 g/mol. Its IUPAC name is [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188775
Molecular FormulaC20H15ClFNO3S
Molecular Weight403.86 g/mol
Exact Mass403.04
IUPAC Name[1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(Cl)c1-2
InChIInChI=1S/C20H15ClFNO3S/c21-17-5-2-6-18-19(17)15-8-7-12(11-27(23,24)25)9-16(15)20(26-18)13-3-1-4-14(22)10-13/h1-10,20H,11H2,(H2,23,24,25)
InChIKeyOIFMDXJHGYPPQJ-UHFFFAOYSA-N
XLogP4.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188775) is [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(Cl)c1-2.
What is the InChIKey of [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is OIFMDXJHGYPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3S/c21-17-5-2-6-18-19(17)15-8-7-12(11-27(23,24)25)9-16(15)20(26-18)13-3-1-4-14(22)10-13/h1-10,20H,11H2,(H2,23,24,25).
What are the key properties of [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 403.86 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).