5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide

C14H23NO3S — CID 87743869

IUPAC5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide
SMILESCCC(C)c1cc(C(C)(C)C)c(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H23NO3S/c1-6-9(2)10-7-11(14(3,4)5)13(16)12(8-10)19(15,17)18/h7-9,16H,6H2,1-5H3,(H2,15,17,18)
InChIKeyLSWKZMCPDUNGBJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.85
Rot. Bonds3

About 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide

5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide (PubChem CID 87743869) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide
PubChem CID87743869
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide
SMILESCCC(C)c1cc(C(C)(C)C)c(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H23NO3S/c1-6-9(2)10-7-11(14(3,4)5)13(16)12(8-10)19(15,17)18/h7-9,16H,6H2,1-5H3,(H2,15,17,18)
InChIKeyLSWKZMCPDUNGBJ-UHFFFAOYSA-N
XLogP2.85
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
CID 144959528
4-butan-2-yl-2-[[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]methyliminomethyl]-6-tert-butylphenol
CID 137091614
2,6-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-ethylheptane-3,5-dione
CID 175451687
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
4-butan-2-yl-2-[[4-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-tert-butylphenol
CID 137035642
heptyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87087566
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
3-(aminomethyl)-2-hydroxy-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 21296923
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 57015406

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide (CID 87743869) is 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide is CCC(C)c1cc(C(C)(C)C)c(O)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide?
The InChIKey is LSWKZMCPDUNGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-6-9(2)10-7-11(14(3,4)5)13(16)12(8-10)19(15,17)18/h7-9,16H,6H2,1-5H3,(H2,15,17,18).
What are the key properties of 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide?
5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-tert-butyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 87743869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).