3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide

C16H25NO3S — CID 60707719

IUPAC3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H25NO3S/c1-5-7-11-17(13(3)6-2)21(19,20)16-10-8-9-15(12-16)14(4)18/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyWBSCVRDCKDFBDV-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.48
Rot. Bonds8

About 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide

3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide (PubChem CID 60707719) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
PubChem CID60707719
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C16H25NO3S/c1-5-7-11-17(13(3)6-2)21(19,20)16-10-8-9-15(12-16)14(4)18/h8-10,12-13H,5-7,11H2,1-4H3
InChIKeyWBSCVRDCKDFBDV-UHFFFAOYSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
CID 113220115
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
2-[(3-acetylphenyl)sulfonyl-butan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
CID 112807233
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-[butan-2-yl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43274740
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 51169070
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide (CID 60707719) is 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide is CCCCN(C(C)CC)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide?
The InChIKey is WBSCVRDCKDFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-7-11-17(13(3)6-2)21(19,20)16-10-8-9-15(12-16)14(4)18/h8-10,12-13H,5-7,11H2,1-4H3.
What are the key properties of 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide?
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide is sourced from PubChem (CID 60707719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).