N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide

C15H23NO4S — CID 57381999

IUPACN-(4-acetyl-2-hexoxyphenyl)methanesulfonamide
SMILESCCCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H23NO4S/c1-4-5-6-7-10-20-15-11-13(12(2)17)8-9-14(15)16-21(3,18)19/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyGWROPSUFHQEORD-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.22
Rot. Bonds9

About N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide

N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide (PubChem CID 57381999) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-hexoxyphenyl)methanesulfonamide
PubChem CID57381999
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-(4-acetyl-2-hexoxyphenyl)methanesulfonamide
SMILESCCCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H23NO4S/c1-4-5-6-7-10-20-15-11-13(12(2)17)8-9-14(15)16-21(3,18)19/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyGWROPSUFHQEORD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide (CID 57381999) is N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide is CCCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide?
The InChIKey is GWROPSUFHQEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-5-6-7-10-20-15-11-13(12(2)17)8-9-14(15)16-21(3,18)19/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide?
N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-hexoxyphenyl)methanesulfonamide is sourced from PubChem (CID 57381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).