[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C19H15BrFNO4S2 — CID 18188979

IUPAC[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cc(F)cc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(Br)s1)O2
InChIInChI=1S/C19H15BrFNO4S2/c1-25-14-7-11(21)8-15-18(14)12-3-2-10(9-28(22,23)24)6-13(12)19(26-15)16-4-5-17(20)27-16/h2-8,19H,9H2,1H3,(H2,22,23,24)
InChIKeyMXKNQFOSKJOEBU-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.60
Rot. Bonds4

About [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18188979) has the molecular formula C19H15BrFNO4S2 and a molecular weight of 484.37 g/mol. Its IUPAC name is [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18188979
Molecular FormulaC19H15BrFNO4S2
Molecular Weight484.37 g/mol
Exact Mass482.96
IUPAC Name[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCOc1cc(F)cc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(Br)s1)O2
InChIInChI=1S/C19H15BrFNO4S2/c1-25-14-7-11(21)8-15-18(14)12-3-2-10(9-28(22,23)24)6-13(12)19(26-15)16-4-5-17(20)27-16/h2-8,19H,9H2,1H3,(H2,22,23,24)
InChIKeyMXKNQFOSKJOEBU-UHFFFAOYSA-N
XLogP4.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18188979) is [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is COc1cc(F)cc2c1-c1ccc(CS(N)(=O)=O)cc1C(c1ccc(Br)s1)O2.
What is the InChIKey of [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is MXKNQFOSKJOEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO4S2/c1-25-14-7-11(21)8-15-18(14)12-3-2-10(9-28(22,23)24)6-13(12)19(26-15)16-4-5-17(20)27-16/h2-8,19H,9H2,1H3,(H2,22,23,24).
What are the key properties of [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 484.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromothiophen-2-yl)-3-fluoro-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18188979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).