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

C8H13F2N3O3S — CID 103836860

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)C(F)F)cn1C
InChIInChI=1S/C8H13F2N3O3S/c1-5-12-7(4-13(5)2)17(15,16)11-3-6(14)8(9)10/h4,6,8,11,14H,3H2,1-2H3
InChIKeyPLFUKPYKPXMQDN-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.37
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 103836860) has the molecular formula C8H13F2N3O3S and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID103836860
Molecular FormulaC8H13F2N3O3S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)C(F)F)cn1C
InChIInChI=1S/C8H13F2N3O3S/c1-5-12-7(4-13(5)2)17(15,16)11-3-6(14)8(9)10/h4,6,8,11,14H,3H2,1-2H3
InChIKeyPLFUKPYKPXMQDN-UHFFFAOYSA-N
XLogP-0.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.37
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
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150068
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-5-sulfonamide
CID 64151528
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-5-sulfonamide
CID 64151729
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64155557
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64156017
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 64156391
2-Ethyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 65804361
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 75400521
2-[(1-Ethyl-2-methylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790269
2-[(1,2-Dimethylimidazol-4-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793617

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide (CID 103836860) is N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC(O)C(F)F)cn1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is PLFUKPYKPXMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3S/c1-5-12-7(4-13(5)2)17(15,16)11-3-6(14)8(9)10/h4,6,8,11,14H,3H2,1-2H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 269.27 g/mol, XLogP of -0.37, 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)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 103836860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).