N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide

C17H21NO2S — CID 2566445

IUPACN-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-14(2)16-9-11-17(12-10-16)21(19,20)18-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3/t14-/m1/s1
InChIKeyYNIXMOFZBJTAHV-CQSZACIVSA-N
MW303.43 g/mol
LogP3.68
Rot. Bonds6

About N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide

N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide (PubChem CID 2566445) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
PubChem CID2566445
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-3-14(2)16-9-11-17(12-10-16)21(19,20)18-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3/t14-/m1/s1
InChIKeyYNIXMOFZBJTAHV-CQSZACIVSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-benzyl-4-(2-methylpropylamino)benzenesulfonamide
CID 735448
4-butan-2-yl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17428017
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 47093279
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
CID 120724244
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide (CID 2566445) is N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide?
The InChIKey is YNIXMOFZBJTAHV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-14(2)16-9-11-17(12-10-16)21(19,20)18-13-15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide?
N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2R)-butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2566445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).