1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone

C18H13BrO3S — CID 7342256

IUPAC1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrO3S/c19-16-8-5-14(6-9-16)18(20)12-23(21,22)17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2
InChIKeyRBMVOPRAZLPKDH-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone

1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone (PubChem CID 7342256) has the molecular formula C18H13BrO3S and a molecular weight of 389.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
PubChem CID7342256
Molecular FormulaC18H13BrO3S
Molecular Weight389.27 g/mol
Exact Mass387.98
IUPAC Name1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrO3S/c19-16-8-5-14(6-9-16)18(20)12-23(21,22)17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2
InChIKeyRBMVOPRAZLPKDH-UHFFFAOYSA-N
XLogP4.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-(2-phenylprop-2-enylsulfonyl)naphthalene
CID 14925064
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone (CID 7342256) is 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone is O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone?
The InChIKey is RBMVOPRAZLPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO3S/c19-16-8-5-14(6-9-16)18(20)12-23(21,22)17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2.
What are the key properties of 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone?
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone has a molecular weight of 389.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone is sourced from PubChem (CID 7342256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).