1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid

C10H9ClO4S — CID 22504886

IUPAC1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1
InChIInChI=1S/C10H9ClO4S/c11-16(14,15)8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyRIGVXWASGVZNEX-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid

1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 22504886) has the molecular formula C10H9ClO4S and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
PubChem CID22504886
Molecular FormulaC10H9ClO4S
Molecular Weight260.70 g/mol
Exact Mass259.99
IUPAC Name1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1
InChIInChI=1S/C10H9ClO4S/c11-16(14,15)8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKeyRIGVXWASGVZNEX-UHFFFAOYSA-N
XLogP1.73
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591
1-[4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxylic acid
CID 107215582
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914226
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
benzene;benzenesulfonyl chloride
CID 87647314
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 71743266
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid (CID 22504886) is 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is RIGVXWASGVZNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4S/c11-16(14,15)8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13).
What are the key properties of 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid?
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 260.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 22504886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).