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

C13H19NO4S — CID 57381780

IUPACN-(4-acetyl-2-butoxyphenyl)methanesulfonamide
SMILESCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-4-5-8-18-13-9-11(10(2)15)6-7-12(13)14-19(3,16)17/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyZLDDJARPGGWJKB-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.44
Rot. Bonds7

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

N-(4-acetyl-2-butoxyphenyl)methanesulfonamide (PubChem CID 57381780) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(4-acetyl-2-butoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2-butoxyphenyl)methanesulfonamide
PubChem CID57381780
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(4-acetyl-2-butoxyphenyl)methanesulfonamide
SMILESCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-4-5-8-18-13-9-11(10(2)15)6-7-12(13)14-19(3,16)17/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyZLDDJARPGGWJKB-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.44
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-butoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-2-butoxyphenyl)methanesulfonamide (CID 57381780) is N-(4-acetyl-2-butoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-2-butoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-2-butoxyphenyl)methanesulfonamide is CCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O.
What is the InChIKey of N-(4-acetyl-2-butoxyphenyl)methanesulfonamide?
The InChIKey is ZLDDJARPGGWJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-4-5-8-18-13-9-11(10(2)15)6-7-12(13)14-19(3,16)17/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of N-(4-acetyl-2-butoxyphenyl)methanesulfonamide?
N-(4-acetyl-2-butoxyphenyl)methanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-butoxyphenyl)methanesulfonamide is sourced from PubChem (CID 57381780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).