benzaldehyde;4-(dipropylsulfamoyl)benzoic acid

C20H25NO5S — CID 146382115

IUPACbenzaldehyde;4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.O=Cc1ccccc1
InChIInChI=1S/C13H19NO4S.C7H6O/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;8-6-7-4-2-1-3-5-7/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-6H
InChIKeyAJMHQEAWBXRYRY-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.69
Rot. Bonds8

About benzaldehyde;4-(dipropylsulfamoyl)benzoic acid

benzaldehyde;4-(dipropylsulfamoyl)benzoic acid (PubChem CID 146382115) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is benzaldehyde;4-(dipropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Namebenzaldehyde;4-(dipropylsulfamoyl)benzoic acid
PubChem CID146382115
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Namebenzaldehyde;4-(dipropylsulfamoyl)benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.O=Cc1ccccc1
InChIInChI=1S/C13H19NO4S.C7H6O/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;8-6-7-4-2-1-3-5-7/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-6H
InChIKeyAJMHQEAWBXRYRY-UHFFFAOYSA-N
XLogP3.69
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
4-formyl-N,N-dipropylbenzenesulfonamide
CID 138962999
acridine;4-(dipropylsulfamoyl)benzoic acid
CID 139187519
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
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
2-[[2-[4-(dipropylsulfamoyl)phenyl]-2-oxoethyl]amino]benzoic acid
CID 11316067
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzenesulfonamide
CID 50775970

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;4-(dipropylsulfamoyl)benzoic acid?
The IUPAC name of benzaldehyde;4-(dipropylsulfamoyl)benzoic acid (CID 146382115) is benzaldehyde;4-(dipropylsulfamoyl)benzoic acid.
What is the SMILES notation for benzaldehyde;4-(dipropylsulfamoyl)benzoic acid?
The canonical SMILES for benzaldehyde;4-(dipropylsulfamoyl)benzoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;4-(dipropylsulfamoyl)benzoic acid?
The InChIKey is AJMHQEAWBXRYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S.C7H6O/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;8-6-7-4-2-1-3-5-7/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);1-6H.
What are the key properties of benzaldehyde;4-(dipropylsulfamoyl)benzoic acid?
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid has a molecular weight of 391.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;4-(dipropylsulfamoyl)benzoic acid is sourced from PubChem (CID 146382115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).