4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide

C18H24N2O3S — CID 767396

IUPAC4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide
SMILESCC(C)c1cc(Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)C)c1O
InChIInChI=1S/C18H24N2O3S/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)20-13-5-7-15(8-6-13)24(19,22)23/h5-12,20-21H,1-4H3,(H2,19,22,23)
InChIKeyVBGHTWOMKJPMDR-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.03
Rot. Bonds5

About 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide

4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide (PubChem CID 767396) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide
PubChem CID767396
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide
SMILESCC(C)c1cc(Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)C)c1O
InChIInChI=1S/C18H24N2O3S/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)20-13-5-7-15(8-6-13)24(19,22)23/h5-12,20-21H,1-4H3,(H2,19,22,23)
InChIKeyVBGHTWOMKJPMDR-UHFFFAOYSA-N
XLogP4.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-4,8-dimethyl-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 16804877
4-[(2-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 2755728
N-(4-hydroxy-3,5-dimethylphenyl)benzenesulfonamide
CID 674493
4-[(2-Hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
CID 115950959
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 136174618
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
CID 747923
4-(2,5-Dimethylanilino)-2,6-diisopropylphenyl 4-methyl-1-benzenesulfonate
CID 1712715
[4-Anilino-2,6-di(propan-2-yl)phenyl] 4-methylbenzenesulfonate
CID 2301630
4-[(4-Methylphenyl)amino]-2,6-bis(propan-2-yl)phenyl 4-methylbenzene-1-sulfonate
CID 2301631
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 136226502
N-(4-fluorophenyl)-4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzenesulfonamide
CID 136226509
N-(4-hydroxy-5-isopropyl-2-methylphenyl)-N'-tosylacetamidine
CID 3579735

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide (CID 767396) is 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide is CC(C)c1cc(Nc2ccc(S(N)(=O)=O)cc2)cc(C(C)C)c1O.
What is the InChIKey of 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide?
The InChIKey is VBGHTWOMKJPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11(2)16-9-14(10-17(12(3)4)18(16)21)20-13-5-7-15(8-6-13)24(19,22)23/h5-12,20-21H,1-4H3,(H2,19,22,23).
What are the key properties of 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide?
4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3,5-di(propan-2-yl)anilino]benzenesulfonamide is sourced from PubChem (CID 767396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).