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

C24H16F3NO4S2 — CID 18188736

IUPAC3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H16F3NO4S2/c25-15-4-1-3-14(11-15)22-18-12-13(16-9-10-33-23(16)34(28,29)30)7-8-17(18)21-19(31-22)5-2-6-20(21)32-24(26)27/h1-12,22,24H,(H2,28,29,30)
InChIKeyNUELJTPDAIMHPY-UHFFFAOYSA-N
MW503.52 g/mol
LogP5.95
Rot. Bonds5

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

3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (PubChem CID 18188736) has the molecular formula C24H16F3NO4S2 and a molecular weight of 503.52 g/mol. Its IUPAC name is 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
PubChem CID18188736
Molecular FormulaC24H16F3NO4S2
Molecular Weight503.52 g/mol
Exact Mass503.05
IUPAC Name3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H16F3NO4S2/c25-15-4-1-3-14(11-15)22-18-12-13(16-9-10-33-23(16)34(28,29)30)7-8-17(18)21-19(31-22)5-2-6-20(21)32-24(26)27/h1-12,22,24H,(H2,28,29,30)
InChIKeyNUELJTPDAIMHPY-UHFFFAOYSA-N
XLogP5.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 55.95
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-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide (CID 18188736) is 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1sccc1-c1ccc2c(c1)C(c1cccc(F)c1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
The InChIKey is NUELJTPDAIMHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO4S2/c25-15-4-1-3-14(11-15)22-18-12-13(16-9-10-33-23(16)34(28,29)30)7-8-17(18)21-19(31-22)5-2-6-20(21)32-24(26)27/h1-12,22,24H,(H2,28,29,30).
What are the key properties of 3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide?
3-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide has a molecular weight of 503.52 g/mol, XLogP of 5.95, 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-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 18188736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).