5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide

C7H12F2N4O3S — CID 106165569

IUPAC5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H12F2N4O3S/c1-13-4-11-5(10)6(13)17(15,16)12-2-7(8,9)3-14/h4,12,14H,2-3,10H2,1H3
InChIKeyCJUCTERDWNAFOT-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.09
Rot. Bonds5

About 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide (PubChem CID 106165569) has the molecular formula C7H12F2N4O3S and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
PubChem CID106165569
Molecular FormulaC7H12F2N4O3S
Molecular Weight270.26 g/mol
Exact Mass270.06
IUPAC Name5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide
SMILESCn1cnc(N)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H12F2N4O3S/c1-13-4-11-5(10)6(13)17(15,16)12-2-7(8,9)3-14/h4,12,14H,2-3,10H2,1H3
InChIKeyCJUCTERDWNAFOT-UHFFFAOYSA-N
XLogP-1.09
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide (CID 106165569) is 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide is Cn1cnc(N)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is CJUCTERDWNAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4O3S/c1-13-4-11-5(10)6(13)17(15,16)12-2-7(8,9)3-14/h4,12,14H,2-3,10H2,1H3.
What are the key properties of 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 270.26 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 106165569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).