1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one

C10H11BrO4S — CID 107508460

IUPAC1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one
SMILESCOCC(=O)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO4S/c1-15-6-9(12)7-16(13,14)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyPKINXFWUSQEKHC-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.44
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one

1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one (PubChem CID 107508460) has the molecular formula C10H11BrO4S and a molecular weight of 307.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one
PubChem CID107508460
Molecular FormulaC10H11BrO4S
Molecular Weight307.17 g/mol
Exact Mass305.96
IUPAC Name1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one
SMILESCOCC(=O)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO4S/c1-15-6-9(12)7-16(13,14)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyPKINXFWUSQEKHC-UHFFFAOYSA-N
XLogP1.44
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfonylacetate
CID 7744989
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
CID 64643723
methyl (Z)-2-[(4-bromophenyl)sulfonylmethyl]-3-(4-chlorophenyl)prop-2-enoate
CID 71567048
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2,2-dimethylpropyl 2-[4-(4-bromophenyl)phenyl]sulfonylacetate
CID 58623103
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-(4-bromophenyl)sulfonylethyl 2-methylpropanoate
CID 67219058
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
CID 103603052
1-methoxy-3-(4-methylsulfonylphenyl)propan-2-one
CID 63198660
1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one (CID 107508460) is 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one is COCC(=O)CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one?
The InChIKey is PKINXFWUSQEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4S/c1-15-6-9(12)7-16(13,14)10-4-2-8(11)3-5-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one?
1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one has a molecular weight of 307.17 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one is sourced from PubChem (CID 107508460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).