2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid

C10H10ClNO5S — CID 107090176

IUPAC2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2COC2)cc1Cl
InChIInChI=1S/C10H10ClNO5S/c11-9-3-7(1-2-8(9)10(13)14)18(15,16)12-6-4-17-5-6/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyWEPQJYXCPGUFLW-UHFFFAOYSA-N
MW291.71 g/mol
LogP0.72
Rot. Bonds4

About 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid

2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid (PubChem CID 107090176) has the molecular formula C10H10ClNO5S and a molecular weight of 291.71 g/mol. Its IUPAC name is 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
PubChem CID107090176
Molecular FormulaC10H10ClNO5S
Molecular Weight291.71 g/mol
Exact Mass291.00
IUPAC Name2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC2COC2)cc1Cl
InChIInChI=1S/C10H10ClNO5S/c11-9-3-7(1-2-8(9)10(13)14)18(15,16)12-6-4-17-5-6/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyWEPQJYXCPGUFLW-UHFFFAOYSA-N
XLogP0.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
CID 146109222
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 103962619
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
2-chloro-4-[[(2S,3R)-2-ethenyloxan-3-yl]sulfamoyl]benzoic acid
CID 154808021
2-chloro-4-[(3-methyloxetan-3-yl)methylsulfamoyl]benzoic acid
CID 107090177
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
2-chloro-4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 107090153
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-cyclobutylsulfonylbenzoic acid
CID 146193870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid (CID 107090176) is 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC2COC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid?
The InChIKey is WEPQJYXCPGUFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO5S/c11-9-3-7(1-2-8(9)10(13)14)18(15,16)12-6-4-17-5-6/h1-3,6,12H,4-5H2,(H,13,14).
What are the key properties of 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid?
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid has a molecular weight of 291.71 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 107090176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).