4-formyl-N,N-dipropylbenzenesulfonamide

C13H19NO3S — CID 138962999

IUPAC4-formyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyLVRFFDKEKHLZOS-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.31
Rot. Bonds7

About 4-formyl-N,N-dipropylbenzenesulfonamide

4-formyl-N,N-dipropylbenzenesulfonamide (PubChem CID 138962999) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-formyl-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-formyl-N,N-dipropylbenzenesulfonamide
PubChem CID138962999
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-formyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyLVRFFDKEKHLZOS-UHFFFAOYSA-N
XLogP2.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N,N-dipropylbenzenesulfonamide
CID 4053954
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-formyl-N,N-dipropylbenzenesulfonamide (CID 138962999) is 4-formyl-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-formyl-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-formyl-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N,N-dipropylbenzenesulfonamide?
The InChIKey is LVRFFDKEKHLZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-9-14(10-4-2)18(16,17)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 4-formyl-N,N-dipropylbenzenesulfonamide?
4-formyl-N,N-dipropylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 138962999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).