N-benzyl-N-propan-2-ylbenzenesulfonamide

C16H19NO2S — CID 2813484

IUPACN-benzyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-14(2)17(13-15-9-5-3-6-10-15)20(18,19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyCKCMNBNBEUJMFP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-N-propan-2-ylbenzenesulfonamide

N-benzyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 2813484) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylbenzenesulfonamide
PubChem CID2813484
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-benzyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-14(2)17(13-15-9-5-3-6-10-15)20(18,19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyCKCMNBNBEUJMFP-UHFFFAOYSA-N
XLogP3.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[(benzylamino)methyl]-N-propan-2-ylbenzenesulfonamide
CID 59826220
N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2951716
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
[5-[[benzenesulfonyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 3425260
N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
CID 60516930
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
CID 110760148
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-propan-2-ylbenzenesulfonamide (CID 2813484) is N-benzyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CKCMNBNBEUJMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-14(2)17(13-15-9-5-3-6-10-15)20(18,19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylbenzenesulfonamide?
N-benzyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2813484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).