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

C24H17F2NO4S2 — CID 18188738

IUPAC3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H17F2NO4S2/c25-24(26)31-20-8-4-7-19-21(20)17-10-9-15(16-11-12-32-23(16)33(27,28)29)13-18(17)22(30-19)14-5-2-1-3-6-14/h1-13,22,24H,(H2,27,28,29)
InChIKeyBZEARFANODWTAD-UHFFFAOYSA-N
MW485.53 g/mol
LogP5.81
Rot. Bonds5

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

3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (PubChem CID 18188738) has the molecular formula C24H17F2NO4S2 and a molecular weight of 485.53 g/mol. Its IUPAC name is 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
PubChem CID18188738
Molecular FormulaC24H17F2NO4S2
Molecular Weight485.53 g/mol
Exact Mass485.06
IUPAC Name3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H17F2NO4S2/c25-24(26)31-20-8-4-7-19-21(20)17-10-9-15(16-11-12-32-23(16)33(27,28)29)13-18(17)22(30-19)14-5-2-1-3-6-14/h1-13,22,24H,(H2,27,28,29)
InChIKeyBZEARFANODWTAD-UHFFFAOYSA-N
XLogP5.81
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (CID 18188738) is 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The InChIKey is BZEARFANODWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO4S2/c25-24(26)31-20-8-4-7-19-21(20)17-10-9-15(16-11-12-32-23(16)33(27,28)29)13-18(17)22(30-19)14-5-2-1-3-6-14/h1-13,22,24H,(H2,27,28,29).
What are the key properties of 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide has a molecular weight of 485.53 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 18188738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).