2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid

C15H19BrO4S — CID 82932727

IUPAC2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid
SMILESO=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrO4S/c16-12-9-5-6-10-13(12)21(19,20)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeyZHUBHSZSFKUPBQ-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.65
Rot. Bonds4

About 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid

2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid (PubChem CID 82932727) has the molecular formula C15H19BrO4S and a molecular weight of 375.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid
PubChem CID82932727
Molecular FormulaC15H19BrO4S
Molecular Weight375.28 g/mol
Exact Mass374.02
IUPAC Name2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid
SMILESO=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H19BrO4S/c16-12-9-5-6-10-13(12)21(19,20)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeyZHUBHSZSFKUPBQ-UHFFFAOYSA-N
XLogP3.65
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfonyl-2-cyclohexylacetic acid
CID 82932916
2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
CID 82934246
2-(2-bromophenyl)-2-cycloheptylacetic acid
CID 82929403
3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457619
1-(2-bromophenyl)sulfonylcyclobutane-1-carboxylic acid
CID 16777928
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
[bromo-(4-phenylphenyl)methyl]cycloheptane
CID 63438273
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041
1-(2-bromophenyl)sulfonyl-2-methylcyclopentane-1-carboxylic acid
CID 79679168

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid (CID 82932727) is 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid is O=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid?
The InChIKey is ZHUBHSZSFKUPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO4S/c16-12-9-5-6-10-13(12)21(19,20)14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid?
2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid has a molecular weight of 375.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid is sourced from PubChem (CID 82932727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).