3-acetyl-N-hexan-3-ylbenzenesulfonamide

C14H21NO3S — CID 55031108

IUPAC3-acetyl-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO3S/c1-4-7-13(5-2)15-19(17,18)14-9-6-8-12(10-14)11(3)16/h6,8-10,13,15H,4-5,7H2,1-3H3
InChIKeyPPSLGOAGPBGHAM-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.75
Rot. Bonds7

About 3-acetyl-N-hexan-3-ylbenzenesulfonamide

3-acetyl-N-hexan-3-ylbenzenesulfonamide (PubChem CID 55031108) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-acetyl-N-hexan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-hexan-3-ylbenzenesulfonamide
PubChem CID55031108
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-acetyl-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C14H21NO3S/c1-4-7-13(5-2)15-19(17,18)14-9-6-8-12(10-14)11(3)16/h6,8-10,13,15H,4-5,7H2,1-3H3
InChIKeyPPSLGOAGPBGHAM-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650571
3-acetyl-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898891
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-hexan-3-ylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-hexan-3-ylbenzenesulfonamide (CID 55031108) is 3-acetyl-N-hexan-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-hexan-3-ylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-hexan-3-ylbenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-hexan-3-ylbenzenesulfonamide?
The InChIKey is PPSLGOAGPBGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-7-13(5-2)15-19(17,18)14-9-6-8-12(10-14)11(3)16/h6,8-10,13,15H,4-5,7H2,1-3H3.
What are the key properties of 3-acetyl-N-hexan-3-ylbenzenesulfonamide?
3-acetyl-N-hexan-3-ylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-hexan-3-ylbenzenesulfonamide is sourced from PubChem (CID 55031108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).