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

C13H21NO2S — CID 668985

IUPACN-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-6-12(5)14-17(15,16)13-10(3)7-9(2)8-11(13)4/h7-8,12,14H,6H2,1-5H3/t12-/m1/s1
InChIKeyPHPZLCWGEQFFHJ-GFCCVEGCSA-N
MW255.38 g/mol
LogP2.69
Rot. Bonds4

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

N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 668985) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID668985
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H21NO2S/c1-6-12(5)14-17(15,16)13-10(3)7-9(2)8-11(13)4/h7-8,12,14H,6H2,1-5H3/t12-/m1/s1
InChIKeyPHPZLCWGEQFFHJ-GFCCVEGCSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl] 2,4,6-trimethylbenzenesulfonate
CID 86629199
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
2,4,6-trimethyl-N-[1-[5-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]piperidin-3-yl]propan-2-yl]benzenesulfonamide
CID 70574893
(2R)-N-[(2S)-butan-2-yl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646021
[2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-3,5-dimethylphenyl]-oxoazanium
CID 143751190
2,4,6-trimethyl-N-(1-phenyl-1-sulfanylbutan-2-yl)benzenesulfonamide
CID 87669232
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 668985) is N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PHPZLCWGEQFFHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-12(5)14-17(15,16)13-10(3)7-9(2)8-11(13)4/h7-8,12,14H,6H2,1-5H3/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 668985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).