N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide

C16H17F2NO2S — CID 60516930

IUPACN-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2S/c1-12(2)19(11-13-6-4-3-5-7-13)22(20,21)16-10-14(17)8-9-15(16)18/h3-10,12H,11H2,1-2H3
InChIKeyQDUSKRPLRIWICL-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.56
Rot. Bonds5

About N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide

N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 60516930) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID60516930
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC NameN-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H17F2NO2S/c1-12(2)19(11-13-6-4-3-5-7-13)22(20,21)16-10-14(17)8-9-15(16)18/h3-10,12H,11H2,1-2H3
InChIKeyQDUSKRPLRIWICL-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
methyl (2S)-2-[benzyl-(2-fluoro-5-methylphenyl)sulfonylamino]propanoate
CID 75396161
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
3-[(2,5-difluorophenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911538
N-benzyl-1-bromo-N-propan-2-ylmethanesulfonamide
CID 83084025
N-(2-bromoethyl)-2,5-difluoro-N-pentan-3-ylbenzenesulfonamide
CID 80675253
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
2,5-difluoro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 60589332
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide (CID 60516930) is N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QDUSKRPLRIWICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-12(2)19(11-13-6-4-3-5-7-13)22(20,21)16-10-14(17)8-9-15(16)18/h3-10,12H,11H2,1-2H3.
What are the key properties of N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide?
N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 325.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60516930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).