4-propanoyl-N,N-dipropylbenzenesulfonamide

C15H23NO3S — CID 70641695

IUPAC4-propanoyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)CC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-11-16(12-5-2)20(18,19)14-9-7-13(8-10-14)15(17)6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZLCMVMFDAKKPKE-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.09
Rot. Bonds8

About 4-propanoyl-N,N-dipropylbenzenesulfonamide

4-propanoyl-N,N-dipropylbenzenesulfonamide (PubChem CID 70641695) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-propanoyl-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-propanoyl-N,N-dipropylbenzenesulfonamide
PubChem CID70641695
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-propanoyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)CC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-11-16(12-5-2)20(18,19)14-9-7-13(8-10-14)15(17)6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyZLCMVMFDAKKPKE-UHFFFAOYSA-N
XLogP3.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(4-propanoylphenyl)sulfonylamino]propanoic acid
CID 82164400
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N,N-dipropylbenzenesulfonamide
CID 4053954
4-propanoylbenzenesulfonic acid
CID 151190628
2-[[2-[4-(dipropylsulfamoyl)phenyl]-2-oxoethyl]amino]benzoic acid
CID 11316067
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
4-(dipropylsulfamoyl)-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 43948656
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-propanoyl-N,N-dipropylbenzenesulfonamide (CID 70641695) is 4-propanoyl-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-propanoyl-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-propanoyl-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)CC)cc1.
What is the InChIKey of 4-propanoyl-N,N-dipropylbenzenesulfonamide?
The InChIKey is ZLCMVMFDAKKPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-11-16(12-5-2)20(18,19)14-9-7-13(8-10-14)15(17)6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 4-propanoyl-N,N-dipropylbenzenesulfonamide?
4-propanoyl-N,N-dipropylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 70641695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).