2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide

C18H29NO4S — CID 15034440

IUPAC2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(CC(C)=O)ccc1OC
InChIInChI=1S/C18H29NO4S/c1-4-5-6-7-8-9-12-19-24(21,22)18-14-16(13-15(2)20)10-11-17(18)23-3/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyNRUUNFZMWLYCFW-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.47
Rot. Bonds12

About 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide

2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide (PubChem CID 15034440) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
PubChem CID15034440
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Name2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(CC(C)=O)ccc1OC
InChIInChI=1S/C18H29NO4S/c1-4-5-6-7-8-9-12-19-24(21,22)18-14-16(13-15(2)20)10-11-17(18)23-3/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyNRUUNFZMWLYCFW-UHFFFAOYSA-N
XLogP3.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.47
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-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]butanoic acid
CID 122067616
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide (CID 15034440) is 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide is CCCCCCCCNS(=O)(=O)c1cc(CC(C)=O)ccc1OC.
What is the InChIKey of 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide?
The InChIKey is NRUUNFZMWLYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-4-5-6-7-8-9-12-19-24(21,22)18-14-16(13-15(2)20)10-11-17(18)23-3/h10-11,14,19H,4-9,12-13H2,1-3H3.
What are the key properties of 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide?
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide has a molecular weight of 355.50 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 15034440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).