N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide

C18H38FN3O3SSi2 — CID 154662053

IUPACN-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide
SMILESC[C@H](Cn1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38FN3O3SSi2/c1-14(25-28(10,11)18(5,6)7)12-22-13-15(19)16(20-22)26(23,24)21-27(8,9)17(2,3)4/h13-14,21H,12H2,1-11H3/t14-/m1/s1
InChIKeyDQHIVQTUPDMWSY-CQSZACIVSA-N
MW451.76 g/mol
LogP4.72
Rot. Bonds7

About N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide

N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide (PubChem CID 154662053) has the molecular formula C18H38FN3O3SSi2 and a molecular weight of 451.76 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide
PubChem CID154662053
Molecular FormulaC18H38FN3O3SSi2
Molecular Weight451.76 g/mol
Exact Mass451.22
IUPAC NameN-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide
SMILESC[C@H](Cn1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38FN3O3SSi2/c1-14(25-28(10,11)18(5,6)7)12-22-13-15(19)16(20-22)26(23,24)21-27(8,9)17(2,3)4/h13-14,21H,12H2,1-11H3/t14-/m1/s1
InChIKeyDQHIVQTUPDMWSY-CQSZACIVSA-N
XLogP4.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570568
N-tert-butyl-4-fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570571
4-fluoro-1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfonamide
CID 146570976
4-Fluoro-1-(2-hydroxypropyl)pyrazole-3-sulfonamide
CID 146570977
3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-ethyl-4-fluoropyrazole
CID 150254558
3-[[[Tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-1-ethyl-4-fluoropyrazole
CID 153588439
N-[tert-butyl(dimethyl)silyl]-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoropyrazole-3-sulfonamide
CID 153589410
3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-fluoropyrazole
CID 153589430
N-[tert-butyl(dimethyl)silyl]-1-(difluoromethyl)-4-fluoropyrazole-3-sulfonamide
CID 153590890
(2S)-1-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluoropyrazol-1-yl]propan-2-ol
CID 154662131
3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole
CID 154662152
(2R)-1-[3-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluoropyrazol-1-yl]propan-2-ol
CID 156902893

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide (CID 154662053) is N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide is C[C@H](Cn1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)n1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide?
The InChIKey is DQHIVQTUPDMWSY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H38FN3O3SSi2/c1-14(25-28(10,11)18(5,6)7)12-22-13-15(19)16(20-22)26(23,24)21-27(8,9)17(2,3)4/h13-14,21H,12H2,1-11H3/t14-/m1/s1.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide?
N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide has a molecular weight of 451.76 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-4-fluoropyrazole-3-sulfonamide is sourced from PubChem (CID 154662053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).