3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide

C15H23NO3S — CID 65042547

IUPAC3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H23NO3S/c1-5-15(6-2,7-3)16-20(18,19)14-10-8-9-13(11-14)12(4)17/h8-11,16H,5-7H2,1-4H3
InChIKeyMYRKMKPMYGXPGU-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.14
Rot. Bonds7

About 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide

3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide (PubChem CID 65042547) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
PubChem CID65042547
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C15H23NO3S/c1-5-15(6-2,7-3)16-20(18,19)14-10-8-9-13(11-14)12(4)17/h8-11,16H,5-7H2,1-4H3
InChIKeyMYRKMKPMYGXPGU-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
CID 94815589
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 39703790
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
3-acetyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzenesulfonamide
CID 2449996

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide (CID 65042547) is 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide is CCC(CC)(CC)NS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide?
The InChIKey is MYRKMKPMYGXPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-15(6-2,7-3)16-20(18,19)14-10-8-9-13(11-14)12(4)17/h8-11,16H,5-7H2,1-4H3.
What are the key properties of 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide?
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 65042547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).