4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide

C12H19NO3S — CID 63201446

IUPAC4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(C)C(O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)11(14)8-9-4-6-10(7-5-9)17(13,15)16/h4-7,11,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyRSZRHDNBQLYWEF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.28
Rot. Bonds3

About 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide

4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide (PubChem CID 63201446) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
PubChem CID63201446
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide
SMILESCC(C)(C)C(O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)11(14)8-9-4-6-10(7-5-9)17(13,15)16/h4-7,11,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyRSZRHDNBQLYWEF-UHFFFAOYSA-N
XLogP1.28
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxy-3,3-dimethylbutyl)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

3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
CID 63200994
4-(2-hydroxypentyl)benzenesulfonamide
CID 63201232
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
4-(2-amino-2-methylpropyl)benzenesulfonamide
CID 130155148
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
CID 63178097
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
4-[(3R)-3-aminobutyl]benzenesulfonamide
CID 54189732
(2S)-4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbutane-2,3-diol
CID 57137960

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide (CID 63201446) is 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide is CC(C)(C)C(O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide?
The InChIKey is RSZRHDNBQLYWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)11(14)8-9-4-6-10(7-5-9)17(13,15)16/h4-7,11,14H,8H2,1-3H3,(H2,13,15,16).
What are the key properties of 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide?
4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3,3-dimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 63201446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).