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

C24H18FNO3S2 — CID 18188820

IUPAC[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(-c3cccs3)c1-2
InChIInChI=1S/C24H18FNO3S2/c25-17-5-1-4-16(13-17)24-20-12-15(14-31(26,27)28)9-10-18(20)23-19(22-8-3-11-30-22)6-2-7-21(23)29-24/h1-13,24H,14H2,(H2,26,27,28)
InChIKeyHBXPGYRUNZBLRO-UHFFFAOYSA-N
MW451.54 g/mol
LogP5.49
Rot. Bonds4

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

[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188820) has the molecular formula C24H18FNO3S2 and a molecular weight of 451.54 g/mol. Its IUPAC name is [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188820
Molecular FormulaC24H18FNO3S2
Molecular Weight451.54 g/mol
Exact Mass451.07
IUPAC Name[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(-c3cccs3)c1-2
InChIInChI=1S/C24H18FNO3S2/c25-17-5-1-4-16(13-17)24-20-12-15(14-31(26,27)28)9-10-18(20)23-19(22-8-3-11-30-22)6-2-7-21(23)29-24/h1-13,24H,14H2,(H2,26,27,28)
InChIKeyHBXPGYRUNZBLRO-UHFFFAOYSA-N
XLogP5.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.54
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188820) is [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide is NS(=O)(=O)Cc1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(-c3cccs3)c1-2.
What is the InChIKey of [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is HBXPGYRUNZBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3S2/c25-17-5-1-4-16(13-17)24-20-12-15(14-31(26,27)28)9-10-18(20)23-19(22-8-3-11-30-22)6-2-7-21(23)29-24/h1-13,24H,14H2,(H2,26,27,28).
What are the key properties of [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 451.54 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenyl)-1-thiophen-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).