4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide

C19H23NO4S — CID 3449144

IUPAC4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H23NO4S/c1-5-19(3,4)15-8-11-18(22)17(12-15)20-25(23,24)16-9-6-14(7-10-16)13(2)21/h6-12,20,22H,5H2,1-4H3
InChIKeyDRJRZWYHOSTLQR-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.08
Rot. Bonds6

About 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide

4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide (PubChem CID 3449144) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide
PubChem CID3449144
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H23NO4S/c1-5-19(3,4)15-8-11-18(22)17(12-15)20-25(23,24)16-9-6-14(7-10-16)13(2)21/h6-12,20,22H,5H2,1-4H3
InChIKeyDRJRZWYHOSTLQR-UHFFFAOYSA-N
XLogP4.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
4-(4-acetylphenoxy)-N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl]-2-hydroxyphenyl]benzamide
CID 59749952
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
4-[2-[2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688852
3-acetyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzenesulfonamide
CID 2449996
3-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 59180411
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
4-acetyl-N-[4-[2-[4-(methylsulfamoyl)phenyl]propan-2-yl]phenyl]sulfonylbenzamide
CID 59994942

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide (CID 3449144) is 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide is CCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is DRJRZWYHOSTLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-19(3,4)15-8-11-18(22)17(12-15)20-25(23,24)16-9-6-14(7-10-16)13(2)21/h6-12,20,22H,5H2,1-4H3.
What are the key properties of 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3449144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).