2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid

C15H19ClO4S — CID 82934246

IUPAC2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
SMILESO=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO4S/c16-12-7-9-13(10-8-12)21(19,20)14(15(17)18)11-5-3-1-2-4-6-11/h7-11,14H,1-6H2,(H,17,18)
InChIKeyWZJBJCRDXOASKI-UHFFFAOYSA-N
MW330.83 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid

2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid (PubChem CID 82934246) has the molecular formula C15H19ClO4S and a molecular weight of 330.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
PubChem CID82934246
Molecular FormulaC15H19ClO4S
Molecular Weight330.83 g/mol
Exact Mass330.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
SMILESO=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO4S/c16-12-7-9-13(10-8-12)21(19,20)14(15(17)18)11-5-3-1-2-4-6-11/h7-11,14H,1-6H2,(H,17,18)
InChIKeyWZJBJCRDXOASKI-UHFFFAOYSA-N
XLogP3.54
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfonyl-2-cyclohexylacetic acid
CID 82932916
2-(2-bromophenyl)sulfonyl-2-cycloheptylacetic acid
CID 82932727
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
CID 106584920
2-(3-chlorophenyl)sulfonyl-2-(3-oxocyclohexyl)acetic acid
CID 152538554
N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine
CID 106512432
2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
CID 59769784
2-(4-chlorophenyl)sulfonyl-3-methylbutanoic acid
CID 15130541
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
CID 695770
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid (CID 82934246) is 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid is O=C(O)C(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid?
The InChIKey is WZJBJCRDXOASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4S/c16-12-7-9-13(10-8-12)21(19,20)14(15(17)18)11-5-3-1-2-4-6-11/h7-11,14H,1-6H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid?
2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid has a molecular weight of 330.83 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid is sourced from PubChem (CID 82934246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).