4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 9173546

IUPAC4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-5-6-7-10-16-20(17,18)13-8-9-15(19-4)14(11-13)12(2)3/h8-9,11-12,16H,5-7,10H2,1-4H3
InChIKeyFWGISFAHFVJTRL-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.29
Rot. Bonds8

About 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide

4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide (PubChem CID 9173546) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
PubChem CID9173546
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-5-6-7-10-16-20(17,18)13-8-9-15(19-4)14(11-13)12(2)3/h8-9,11-12,16H,5-7,10H2,1-4H3
InChIKeyFWGISFAHFVJTRL-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-butoxy-N-(2-hydroxyethyl)-3-propan-2-ylbenzenesulfonamide
CID 50876538
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
CID 166940341
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
N-nonylnaphthalene-2-sulfonamide
CID 19681387

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide (CID 9173546) is 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide?
The InChIKey is FWGISFAHFVJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-6-7-10-16-20(17,18)13-8-9-15(19-4)14(11-13)12(2)3/h8-9,11-12,16H,5-7,10H2,1-4H3.
What are the key properties of 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide?
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 9173546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).