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

C19H25NO3S — CID 72725552

IUPACN-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO3S/c1-5-17(12-16-6-8-18(21)9-7-16)20-24(22,23)19-14(3)10-13(2)11-15(19)4/h6-11,17,20-21H,5,12H2,1-4H3/t17-/m0/s1
InChIKeyPPUNHWFUTBMUGU-KRWDZBQOSA-N
MW347.48 g/mol
LogP3.62
Rot. Bonds6

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

N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 72725552) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID72725552
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO3S/c1-5-17(12-16-6-8-18(21)9-7-16)20-24(22,23)19-14(3)10-13(2)11-15(19)4/h6-11,17,20-21H,5,12H2,1-4H3/t17-/m0/s1
InChIKeyPPUNHWFUTBMUGU-KRWDZBQOSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 72725552) is N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is CC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PPUNHWFUTBMUGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-5-17(12-16-6-8-18(21)9-7-16)20-24(22,23)19-14(3)10-13(2)11-15(19)4/h6-11,17,20-21H,5,12H2,1-4H3/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-hydroxyphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 72725552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).