N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide

C13H19F2NO3S — CID 103836871

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(O)C(F)F)c1C
InChIInChI=1S/C13H19F2NO3S/c1-7-5-8(2)10(4)12(9(7)3)20(18,19)16-6-11(17)13(14)15/h5,11,13,16-17H,6H2,1-4H3
InChIKeyNPBJJCGKYLJWJF-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.82
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 103836871) has the molecular formula C13H19F2NO3S and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID103836871
Molecular FormulaC13H19F2NO3S
Molecular Weight307.36 g/mol
Exact Mass307.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(O)C(F)F)c1C
InChIInChI=1S/C13H19F2NO3S/c1-7-5-8(2)10(4)12(9(7)3)20(18,19)16-6-11(17)13(14)15/h5,11,13,16-17H,6H2,1-4H3
InChIKeyNPBJJCGKYLJWJF-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 103836765
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 103836926
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836757
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylbenzoate
CID 103836778
(3S)-3-phenyl-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 7044554

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 103836871) is N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(O)C(F)F)c1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is NPBJJCGKYLJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3S/c1-7-5-8(2)10(4)12(9(7)3)20(18,19)16-6-11(17)13(14)15/h5,11,13,16-17H,6H2,1-4H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 307.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 103836871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).