4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide

C12H19NO3S — CID 54955559

IUPAC4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO3S/c1-4-9(2)10(3)13-17(15,16)12-7-5-11(14)6-8-12/h5-10,13-14H,4H2,1-3H3
InChIKeyZHZHYMKUAGURNS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.11
Rot. Bonds5

About 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide

4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 54955559) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID54955559
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO3S/c1-4-9(2)10(3)13-17(15,16)12-7-5-11(14)6-8-12/h5-10,13-14H,4H2,1-3H3
InChIKeyZHZHYMKUAGURNS-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
4-[2-(methylamino)ethoxy]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053680
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
3-(3-methylpentan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958246
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 54955559) is 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is ZHZHYMKUAGURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-9(2)10(3)13-17(15,16)12-7-5-11(14)6-8-12/h5-10,13-14H,4H2,1-3H3.
What are the key properties of 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 54955559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).