2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide

C16H22FN3O3S — CID 131921042

IUPAC2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(Cc2cccc(F)c2)C(C)COC)[nH]1
InChIInChI=1S/C16H22FN3O3S/c1-4-15-18-9-16(19-15)24(21,22)20(12(2)11-23-3)10-13-6-5-7-14(17)8-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyCHCRKVYBIVRITG-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.34
Rot. Bonds8

About 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide

2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 131921042) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID131921042
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(Cc2cccc(F)c2)C(C)COC)[nH]1
InChIInChI=1S/C16H22FN3O3S/c1-4-15-18-9-16(19-15)24(21,22)20(12(2)11-23-3)10-13-6-5-7-14(17)8-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyCHCRKVYBIVRITG-UHFFFAOYSA-N
XLogP2.34
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide (CID 131921042) is 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(Cc2cccc(F)c2)C(C)COC)[nH]1.
What is the InChIKey of 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is CHCRKVYBIVRITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-4-15-18-9-16(19-15)24(21,22)20(12(2)11-23-3)10-13-6-5-7-14(17)8-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 355.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 131921042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).