2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide

C15H23NO4S — CID 39454552

IUPAC2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)CC)ccc1OC
InChIInChI=1S/C15H23NO4S/c1-4-6-7-10-16-21(18,19)15-11-12(13(17)5-2)8-9-14(15)20-3/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyWPENFCIUEQVKLR-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.76
Rot. Bonds9

About 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide

2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide (PubChem CID 39454552) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
PubChem CID39454552
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)CC)ccc1OC
InChIInChI=1S/C15H23NO4S/c1-4-6-7-10-16-21(18,19)15-11-12(13(17)5-2)8-9-14(15)20-3/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyWPENFCIUEQVKLR-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
CID 15034440
N-butyl-2-chloro-5-propanoylbenzenesulfonamide
CID 39431604
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide (CID 39454552) is 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(C(=O)CC)ccc1OC.
What is the InChIKey of 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide?
The InChIKey is WPENFCIUEQVKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-6-7-10-16-21(18,19)15-11-12(13(17)5-2)8-9-14(15)20-3/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide?
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide is sourced from PubChem (CID 39454552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).