N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide

C7H11F2N3O3S — CID 103836827

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C7H11F2N3O3S/c1-12-3-6(10-4-12)16(14,15)11-2-5(13)7(8)9/h3-5,7,11,13H,2H2,1H3
InChIKeyPPFVCODBDPTDSK-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.68
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 103836827) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
PubChem CID103836827
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C7H11F2N3O3S/c1-12-3-6(10-4-12)16(14,15)11-2-5(13)7(8)9/h3-5,7,11,13H,2H2,1H3
InChIKeyPPFVCODBDPTDSK-UHFFFAOYSA-N
XLogP-0.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3,3-Trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155187964
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150067
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64155557
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 75400521
1-(3,3,3-Trifluoropropyl)imidazole-4-sulfonamide
CID 81340266
1-[2-(2,2,2-Trifluoroethoxy)ethyl]imidazole-4-sulfonamide
CID 81340845
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonamide
CID 81341122
1-[2-(Trifluoromethoxy)ethyl]imidazole-4-sulfonamide
CID 81341124
2-Methyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
CID 81341134
2-Ethyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonamide
CID 81341542
1,2-dimethyl-N-(2,2,2-trifluoroethoxy)imidazole-4-sulfonamide
CID 82714582
1-methyl-N-(2,2,2-trifluoroethoxy)imidazole-4-sulfonamide
CID 82714694

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide (CID 103836827) is N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(O)C(F)F)c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is PPFVCODBDPTDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-12-3-6(10-4-12)16(14,15)11-2-5(13)7(8)9/h3-5,7,11,13H,2H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 103836827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).