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

C24H18FNO4S2 — CID 18188827

IUPAC3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESCOc1cccc2c1-c1ccc(-c3ccsc3S(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C24H18FNO4S2/c1-29-20-6-3-7-21-22(20)18-9-8-14(17-10-11-31-24(17)32(26,27)28)13-19(18)23(30-21)15-4-2-5-16(25)12-15/h2-13,23H,1H3,(H2,26,27,28)
InChIKeyUDATWOCNRLYUOO-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.36
Rot. Bonds4

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

3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (PubChem CID 18188827) has the molecular formula C24H18FNO4S2 and a molecular weight of 467.54 g/mol. Its IUPAC name is 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
PubChem CID18188827
Molecular FormulaC24H18FNO4S2
Molecular Weight467.54 g/mol
Exact Mass467.07
IUPAC Name3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESCOc1cccc2c1-c1ccc(-c3ccsc3S(N)(=O)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C24H18FNO4S2/c1-29-20-6-3-7-21-22(20)18-9-8-14(17-10-11-31-24(17)32(26,27)28)13-19(18)23(30-21)15-4-2-5-16(25)12-15/h2-13,23H,1H3,(H2,26,27,28)
InChIKeyUDATWOCNRLYUOO-UHFFFAOYSA-N
XLogP5.36
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (CID 18188827) is 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is COc1cccc2c1-c1ccc(-c3ccsc3S(N)(=O)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The InChIKey is UDATWOCNRLYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO4S2/c1-29-20-6-3-7-21-22(20)18-9-8-14(17-10-11-31-24(17)32(26,27)28)13-19(18)23(30-21)15-4-2-5-16(25)12-15/h2-13,23H,1H3,(H2,26,27,28).
What are the key properties of 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide has a molecular weight of 467.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 18188827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).