4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

C13H19NO4S — CID 115606746

IUPAC4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO4S/c1-10(15)11-5-7-12(8-6-11)19(16,17)14-13(2,3)9-18-4/h5-8,14H,9H2,1-4H3
InChIKeyFLWJNYMGFYVYGI-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.59
Rot. Bonds6

About 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide

4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 115606746) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID115606746
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO4S/c1-10(15)11-5-7-12(8-6-11)19(16,17)14-13(2,3)9-18-4/h5-8,14H,9H2,1-4H3
InChIKeyFLWJNYMGFYVYGI-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
CID 110454209
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
ethyl 4-[(1-amino-2-methylpropan-2-yl)sulfamoyl]benzoate;hydrochloride
CID 119975673
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide (CID 115606746) is 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is COCC(C)(C)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is FLWJNYMGFYVYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10(15)11-5-7-12(8-6-11)19(16,17)14-13(2,3)9-18-4/h5-8,14H,9H2,1-4H3.
What are the key properties of 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide?
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115606746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).