4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide

C14H23NO4S — CID 22711687

IUPAC4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NC(CC)CO)cc1
InChIInChI=1S/C14H23NO4S/c1-3-5-10-19-13-6-8-14(9-7-13)20(17,18)15-12(4-2)11-16/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyJXSANGSDUOVXGH-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.91
Rot. Bonds9

About 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide

4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 22711687) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID22711687
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NC(CC)CO)cc1
InChIInChI=1S/C14H23NO4S/c1-3-5-10-19-13-6-8-14(9-7-13)20(17,18)15-12(4-2)11-16/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyJXSANGSDUOVXGH-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
2-[(4-butoxyphenyl)sulfonylamino]-N-hydroxy-3,3-dimethylbutanethioamide
CID 54406297
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide (CID 22711687) is 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NC(CC)CO)cc1.
What is the InChIKey of 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is JXSANGSDUOVXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-3-5-10-19-13-6-8-14(9-7-13)20(17,18)15-12(4-2)11-16/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 22711687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).