2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid

C11H11Cl2NO5S — CID 80716887

IUPAC2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(15)16)20(17,18)14-6-1-2-19-5-6/h3-4,6,14H,1-2,5H2,(H,15,16)
InChIKeyYMMMEXANKABVSJ-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.76
Rot. Bonds4

About 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid

2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid (PubChem CID 80716887) has the molecular formula C11H11Cl2NO5S and a molecular weight of 340.18 g/mol. Its IUPAC name is 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
PubChem CID80716887
Molecular FormulaC11H11Cl2NO5S
Molecular Weight340.18 g/mol
Exact Mass338.97
IUPAC Name2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(15)16)20(17,18)14-6-1-2-19-5-6/h3-4,6,14H,1-2,5H2,(H,15,16)
InChIKeyYMMMEXANKABVSJ-UHFFFAOYSA-N
XLogP1.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717277
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
2,4-dichloro-5-(oxan-4-ylmethylsulfonyl)benzoic acid
CID 62385155
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 103962619
4-bromo-3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716502
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
CID 107090176
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55358300

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid (CID 80716887) is 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2CCOC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid?
The InChIKey is YMMMEXANKABVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5S/c12-8-4-9(13)10(3-7(8)11(15)16)20(17,18)14-6-1-2-19-5-6/h3-4,6,14H,1-2,5H2,(H,15,16).
What are the key properties of 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid?
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid has a molecular weight of 340.18 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 80716887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).