1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

C9H14F3N3O3S — CID 103880412

IUPAC1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(O)C(F)(F)F)nc1C
InChIInChI=1S/C9H14F3N3O3S/c1-3-15-5-8(14-6(15)2)19(17,18)13-4-7(16)9(10,11)12/h5,7,13,16H,3-4H2,1-2H3
InChIKeyNKPCWNHQDNBCPW-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.41
Rot. Bonds5

About 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 103880412) has the molecular formula C9H14F3N3O3S and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID103880412
Molecular FormulaC9H14F3N3O3S
Molecular Weight301.29 g/mol
Exact Mass301.07
IUPAC Name1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(O)C(F)(F)F)nc1C
InChIInChI=1S/C9H14F3N3O3S/c1-3-15-5-8(14-6(15)2)19(17,18)13-4-7(16)9(10,11)12/h5,7,13,16H,3-4H2,1-2H3
InChIKeyNKPCWNHQDNBCPW-UHFFFAOYSA-N
XLogP0.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.41
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 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 103880412) is 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(O)C(F)(F)F)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is NKPCWNHQDNBCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3S/c1-3-15-5-8(14-6(15)2)19(17,18)13-4-7(16)9(10,11)12/h5,7,13,16H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 301.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 103880412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).