2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid

C10H11Cl2NO6S — CID 66170591

IUPAC2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO6S/c11-7-2-8(12)9(1-6(7)10(16)17)20(18,19)13-3-5(15)4-14/h1-2,5,13-15H,3-4H2,(H,16,17)
InChIKeyVTAKHHQRCROCAW-UHFFFAOYSA-N
MW344.17 g/mol
LogP0.32
Rot. Bonds6

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

2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid (PubChem CID 66170591) has the molecular formula C10H11Cl2NO6S and a molecular weight of 344.17 g/mol. Its IUPAC name is 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
PubChem CID66170591
Molecular FormulaC10H11Cl2NO6S
Molecular Weight344.17 g/mol
Exact Mass342.97
IUPAC Name2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(O)CO)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO6S/c11-7-2-8(12)9(1-6(7)10(16)17)20(18,19)13-3-5(15)4-14/h1-2,5,13-15H,3-4H2,(H,16,17)
InChIKeyVTAKHHQRCROCAW-UHFFFAOYSA-N
XLogP0.32
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4-dichloro-5-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656139
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(3,3-dimethylbutylsulfamoyl)benzoic acid
CID 115581011
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
2,4-dichloro-5-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65108091
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid (CID 66170591) is 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCC(O)CO)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid?
The InChIKey is VTAKHHQRCROCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO6S/c11-7-2-8(12)9(1-6(7)10(16)17)20(18,19)13-3-5(15)4-14/h1-2,5,13-15H,3-4H2,(H,16,17).
What are the key properties of 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid?
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid has a molecular weight of 344.17 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 66170591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).