3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one

C19H11BrO4S — CID 134065364

IUPAC3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C19H11BrO4S/c20-15-9-10-17(14-7-3-2-6-13(14)15)25(22,23)18-11-12-5-1-4-8-16(12)24-19(18)21/h1-11H
InChIKeyKYMPBXCDWJKFNV-UHFFFAOYSA-N
MW415.26 g/mol
LogP4.54
Rot. Bonds2

About 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one

3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one (PubChem CID 134065364) has the molecular formula C19H11BrO4S and a molecular weight of 415.26 g/mol. Its IUPAC name is 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one
PubChem CID134065364
Molecular FormulaC19H11BrO4S
Molecular Weight415.26 g/mol
Exact Mass413.96
IUPAC Name3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C19H11BrO4S/c20-15-9-10-17(14-7-3-2-6-13(14)15)25(22,23)18-11-12-5-1-4-8-16(12)24-19(18)21/h1-11H
InChIKeyKYMPBXCDWJKFNV-UHFFFAOYSA-N
XLogP4.54
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)sulfonylchromen-2-one
CID 12701708
N,N-difluoro-2-oxochromene-3-sulfonamide
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3-pyrrolidin-1-ylsulfonylchromen-2-one
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7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11703726
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11682483
4-bromonaphthalene-1-sulfonyl chloride
CID 2757076
3-(hydroxymethyl)chromen-2-one
CID 22921481
3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
CID 7246257
6-bromo-3-(4-chlorophenyl)sulfonylchromen-2-one
CID 2134722
1,4-dibromonaphthalene
CID 162208061
2-(2-bromophenyl)sulfonyl-N-methylnaphthalen-1-amine
CID 138968225
naphtho[2,3-c]isochromen-5-one
CID 11379597

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one?
The IUPAC name of 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one (CID 134065364) is 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one is O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Br)c2ccccc12.
What is the InChIKey of 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one?
The InChIKey is KYMPBXCDWJKFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrO4S/c20-15-9-10-17(14-7-3-2-6-13(14)15)25(22,23)18-11-12-5-1-4-8-16(12)24-19(18)21/h1-11H.
What are the key properties of 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one?
3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one has a molecular weight of 415.26 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromonaphthalen-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 134065364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).