4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide

C20H21NO3S — CID 1106000

IUPAC4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C20H21NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13,21-22H,1-3H3
InChIKeyBKEZPAKTGANESH-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.64
Rot. Bonds3

About 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide

4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (PubChem CID 1106000) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
PubChem CID1106000
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C20H21NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13,21-22H,1-3H3
InChIKeyBKEZPAKTGANESH-UHFFFAOYSA-N
XLogP4.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonic acid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
CID 135513128
8-Amino-4-hydroxynaphthalene-2-sulphonic acid
CID 68106
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073705
Benzenesulfonic acid, 4-(2-(4-hydroxy-1-naphthalenyl)diazenyl)-
CID 10656
ATG12-ATG3 inhibitor 1
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
2-((4-((4-(tert-Butyl)phenyl)sulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid
CID 992590
N-(2-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 12936671
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57388026

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (CID 1106000) is 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The InChIKey is BKEZPAKTGANESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-20(2,3)14-8-10-15(11-9-14)25(23,24)21-18-12-13-19(22)17-7-5-4-6-16(17)18/h4-13,21-22H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 1106000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).