acridine;4-(dipropylsulfamoyl)benzoic acid

C26H28N2O4S — CID 139187519

IUPACacridine;4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H19NO4S.C13H9N/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-9H
InChIKeyFOKKTGVFULMYSO-UHFFFAOYSA-N
MW464.59 g/mol
LogP5.58
Rot. Bonds7

About acridine;4-(dipropylsulfamoyl)benzoic acid

acridine;4-(dipropylsulfamoyl)benzoic acid (PubChem CID 139187519) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is acridine;4-(dipropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Nameacridine;4-(dipropylsulfamoyl)benzoic acid
PubChem CID139187519
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Nameacridine;4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H19NO4S.C13H9N/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-9H
InChIKeyFOKKTGVFULMYSO-UHFFFAOYSA-N
XLogP5.58
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
N,N-dipropylbenzenesulfonamide
CID 4053954
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
2-[[2-[4-(dipropylsulfamoyl)phenyl]-2-oxoethyl]amino]benzoic acid
CID 11316067
3-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 129054506
4-[2-(1H-benzimidazol-2-yl)-2-cyano-1-hydroxyethenyl]-N,N-dipropylbenzenesulfonamide
CID 3518334
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
(2-chloroquinolin-3-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 46810230

Frequently Asked Questions

What is the IUPAC name of acridine;4-(dipropylsulfamoyl)benzoic acid?
The IUPAC name of acridine;4-(dipropylsulfamoyl)benzoic acid (CID 139187519) is acridine;4-(dipropylsulfamoyl)benzoic acid.
What is the SMILES notation for acridine;4-(dipropylsulfamoyl)benzoic acid?
The canonical SMILES for acridine;4-(dipropylsulfamoyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;4-(dipropylsulfamoyl)benzoic acid?
The InChIKey is FOKKTGVFULMYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S.C13H9N/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-9H.
What are the key properties of acridine;4-(dipropylsulfamoyl)benzoic acid?
acridine;4-(dipropylsulfamoyl)benzoic acid has a molecular weight of 464.59 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;4-(dipropylsulfamoyl)benzoic acid is sourced from PubChem (CID 139187519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).