2-chloro-4-cyclobutylsulfonylbenzoic acid

C11H11ClO4S — CID 146193870

IUPAC2-chloro-4-cyclobutylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1Cl
InChIInChI=1S/C11H11ClO4S/c12-10-6-8(4-5-9(10)11(13)14)17(15,16)7-2-1-3-7/h4-7H,1-3H2,(H,13,14)
InChIKeySFTZZUGSKOZRDB-UHFFFAOYSA-N
MW274.73 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-4-cyclobutylsulfonylbenzoic acid

2-chloro-4-cyclobutylsulfonylbenzoic acid (PubChem CID 146193870) has the molecular formula C11H11ClO4S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-4-cyclobutylsulfonylbenzoic acid.

Molecular Properties

Compound Name2-chloro-4-cyclobutylsulfonylbenzoic acid
PubChem CID146193870
Molecular FormulaC11H11ClO4S
Molecular Weight274.73 g/mol
Exact Mass274.01
IUPAC Name2-chloro-4-cyclobutylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1Cl
InChIInChI=1S/C11H11ClO4S/c12-10-6-8(4-5-9(10)11(13)14)17(15,16)7-2-1-3-7/h4-7H,1-3H2,(H,13,14)
InChIKeySFTZZUGSKOZRDB-UHFFFAOYSA-N
XLogP2.36
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107090458
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2-bromo-5-cyclohexylsulfonylbenzoic acid
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5-cycloheptylsulfonyl-2-fluorobenzoic acid
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2,4-dichloro-5-cyclohexylsulfonylbenzoic acid
CID 43323448
2-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoic acid
CID 107216439
2-chloro-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215234
2-cyclopropyl-5-cyclopropylsulfonylbenzoic acid
CID 176888626
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
4-(3-aminopiperidin-1-yl)sulfonyl-2-chlorobenzoic acid
CID 107090004
4-cycloheptylsulfonylbenzoic acid
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2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutylsulfonylbenzoic acid?
The IUPAC name of 2-chloro-4-cyclobutylsulfonylbenzoic acid (CID 146193870) is 2-chloro-4-cyclobutylsulfonylbenzoic acid.
What is the SMILES notation for 2-chloro-4-cyclobutylsulfonylbenzoic acid?
The canonical SMILES for 2-chloro-4-cyclobutylsulfonylbenzoic acid is O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclobutylsulfonylbenzoic acid?
The InChIKey is SFTZZUGSKOZRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4S/c12-10-6-8(4-5-9(10)11(13)14)17(15,16)7-2-1-3-7/h4-7H,1-3H2,(H,13,14).
What are the key properties of 2-chloro-4-cyclobutylsulfonylbenzoic acid?
2-chloro-4-cyclobutylsulfonylbenzoic acid has a molecular weight of 274.73 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutylsulfonylbenzoic acid is sourced from PubChem (CID 146193870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).