3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide

C14H21NO3S — CID 43430441

IUPAC3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO3S/c1-5-7-11(2)15(4)19(17,18)14-9-6-8-13(10-14)12(3)16/h6,8-11H,5,7H2,1-4H3
InChIKeyOXLWOKOFZDYFCF-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.70
Rot. Bonds6

About 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide

3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43430441) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID43430441
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO3S/c1-5-7-11(2)15(4)19(17,18)14-9-6-8-13(10-14)12(3)16/h6,8-11H,5,7H2,1-4H3
InChIKeyOXLWOKOFZDYFCF-UHFFFAOYSA-N
XLogP2.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide (CID 43430441) is 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is OXLWOKOFZDYFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-7-11(2)15(4)19(17,18)14-9-6-8-13(10-14)12(3)16/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43430441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).