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

C12H15Cl2NO5S — CID 106120585

IUPAC2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
SMILESCC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C12H15Cl2NO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyJQYNGACFCJYSFI-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.13
Rot. Bonds7

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

2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid (PubChem CID 106120585) has the molecular formula C12H15Cl2NO5S and a molecular weight of 356.23 g/mol. Its IUPAC name is 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
PubChem CID106120585
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.23 g/mol
Exact Mass355.00
IUPAC Name2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
SMILESCC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl
InChIInChI=1S/C12H15Cl2NO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyJQYNGACFCJYSFI-UHFFFAOYSA-N
XLogP2.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

5-chloro-2-fluoro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120582
3-(butylsulfamoyl)-2,5-dichlorobenzoic acid
CID 43514496
5-chloro-2-fluoro-3-(4-methylpentylsulfamoyl)benzoic acid
CID 61044021
2-chloro-3-fluoro-5-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120518
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225908
3-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120528
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
CID 113223258
2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43514531
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
2,5-dichloro-3-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827579
2,5-dichloro-3-(1-methylsulfanylpropan-2-ylsulfamoyl)benzoic acid
CID 104655063

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid (CID 106120585) is 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid is CC(O)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
The InChIKey is JQYNGACFCJYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO5S/c1-7(16)3-2-4-15-21(19,20)10-6-8(13)5-9(11(10)14)12(17)18/h5-7,15-16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid?
2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid has a molecular weight of 356.23 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid is sourced from PubChem (CID 106120585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).