2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

C11H13Cl2NO5S — CID 43081929

IUPAC2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-6(5-19-2)14-20(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyHUYAJAGQRJYUBA-UHFFFAOYSA-N
MW342.20 g/mol
LogP2.00
Rot. Bonds6

About 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid

2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (PubChem CID 43081929) has the molecular formula C11H13Cl2NO5S and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
PubChem CID43081929
Molecular FormulaC11H13Cl2NO5S
Molecular Weight342.20 g/mol
Exact Mass340.99
IUPAC Name2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
SMILESCOCC(C)NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO5S/c1-6(5-19-2)14-20(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16)
InChIKeyHUYAJAGQRJYUBA-UHFFFAOYSA-N
XLogP2.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2-chloro-3-fluoro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 81461406
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2,4-dichloro-5-(hex-1-yn-3-ylsulfamoyl)benzoic acid
CID 106224222
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 103988819
2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99988329
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid (CID 43081929) is 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is COCC(C)NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
The InChIKey is HUYAJAGQRJYUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO5S/c1-6(5-19-2)14-20(17,18)10-3-7(11(15)16)8(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid?
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid has a molecular weight of 342.20 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43081929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).