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

C10H17F2N3O3S — CID 106170242

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C
InChIInChI=1S/C10H17F2N3O3S/c1-3-4-15-5-9(14-8(15)2)19(17,18)13-6-10(11,12)7-16/h5,13,16H,3-4,6-7H2,1-2H3
InChIKeyTZOBKCOWSZXZMB-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.51
Rot. Bonds7

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

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106170242) has the molecular formula C10H17F2N3O3S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106170242
Molecular FormulaC10H17F2N3O3S
Molecular Weight297.33 g/mol
Exact Mass297.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C
InChIInChI=1S/C10H17F2N3O3S/c1-3-4-15-5-9(14-8(15)2)19(17,18)13-6-10(11,12)7-16/h5,13,16H,3-4,6-7H2,1-2H3
InChIKeyTZOBKCOWSZXZMB-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.51
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
2-(1-methylimidazol-2-yl)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171931076
1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64145557
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64148915
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-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152139
2-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152341
2-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64152647
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64155341
2-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-sulfonyl chloride
CID 64156017
2-Ethyl-1-[2-(trifluoromethoxy)ethyl]imidazole-4-sulfonyl chloride
CID 65804361

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 106170242) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC(F)(F)CO)nc1C.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is TZOBKCOWSZXZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O3S/c1-3-4-15-5-9(14-8(15)2)19(17,18)13-6-10(11,12)7-16/h5,13,16H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 297.33 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106170242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).