N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C23H27NO3S — CID 72725551

IUPACN-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H27NO3S/c1-5-19(14-18-10-11-22(25)21-9-7-6-8-20(18)21)24-28(26,27)23-16(3)12-15(2)13-17(23)4/h6-13,19,24-25H,5,14H2,1-4H3
InChIKeySFFRJYDGTHMNDH-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.77
Rot. Bonds6

About N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 72725551) has the molecular formula C23H27NO3S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID72725551
Molecular FormulaC23H27NO3S
Molecular Weight397.54 g/mol
Exact Mass397.17
IUPAC NameN-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H27NO3S/c1-5-19(14-18-10-11-22(25)21-9-7-6-8-20(18)21)24-28(26,27)23-16(3)12-15(2)13-17(23)4/h6-13,19,24-25H,5,14H2,1-4H3
InChIKeySFFRJYDGTHMNDH-UHFFFAOYSA-N
XLogP4.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonohydrazide
CID 135545713
Para-toluenesulfonic acid (2-hydroxy-1-naphthylmethylene)-hydrazide
CID 285498
N-[(2S)-1-(4-hydroxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72724690
N-[1-(4-methoxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725496
N-[1-(4-hydroxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725497
N-[1-(4-hydroxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725550
N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725552
N-[(2S)-1-(4-hydroxy-2-methylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725553
N-[(2S)-1-(4-hydroxy-3-methylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725554
N-(2-Hydroxy-naphthalen-1-ylmethylene)-4-methyl-benzenesulfonamide
CID 135403133
N-[2-(3,4-dihydroxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 56941565
4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide
CID 53324528

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 72725551) is N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is CCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SFFRJYDGTHMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3S/c1-5-19(14-18-10-11-22(25)21-9-7-6-8-20(18)21)24-28(26,27)23-16(3)12-15(2)13-17(23)4/h6-13,19,24-25H,5,14H2,1-4H3.
What are the key properties of N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxynaphthalen-1-yl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 72725551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).