2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid

C12H15Cl2NO5S — CID 107316637

IUPAC2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NCCCCCO)c1Cl
InChIInChI=1S/C12H15Cl2NO5S/c13-8-4-5-9(11(14)10(8)12(17)18)21(19,20)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2,(H,17,18)
InChIKeyDBUAXVXCIJYIPT-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.13
Rot. Bonds8

About 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid

2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid (PubChem CID 107316637) has the molecular formula C12H15Cl2NO5S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
PubChem CID107316637
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.23 g/mol
Exact Mass355.00
IUPAC Name2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(S(=O)(=O)NCCCCCO)c1Cl
InChIInChI=1S/C12H15Cl2NO5S/c13-8-4-5-9(11(14)10(8)12(17)18)21(19,20)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2,(H,17,18)
InChIKeyDBUAXVXCIJYIPT-UHFFFAOYSA-N
XLogP2.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 39847484
2,6-dichloro-3-(2-cyanopropylsulfamoyl)benzoic acid
CID 62668420
2-chloro-N-(5-hydroxypentyl)-5-nitrobenzenesulfonamide
CID 107317208

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid?
The IUPAC name of 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid (CID 107316637) is 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid?
The canonical SMILES for 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid is O=C(O)c1c(Cl)ccc(S(=O)(=O)NCCCCCO)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid?
The InChIKey is DBUAXVXCIJYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO5S/c13-8-4-5-9(11(14)10(8)12(17)18)21(19,20)15-6-2-1-3-7-16/h4-5,15-16H,1-3,6-7H2,(H,17,18).
What are the key properties of 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid?
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid has a molecular weight of 356.23 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid is sourced from PubChem (CID 107316637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).