1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide

C18H22F3N5O2S — CID 59177194

IUPAC1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C
InChIInChI=1S/C18H22F3N5O2S/c1-5-25-15-9-13(18(19,20)21)7-8-14(15)23-17(25)11(3)24-29(27,28)16-10-22-26(6-2)12(16)4/h7-11,24H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyMEZQZIDNLMNGFT-LLVKDONJSA-N
MW429.47 g/mol
LogP3.64
Rot. Bonds6

About 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide

1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 59177194) has the molecular formula C18H22F3N5O2S and a molecular weight of 429.47 g/mol. Its IUPAC name is 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide
PubChem CID59177194
Molecular FormulaC18H22F3N5O2S
Molecular Weight429.47 g/mol
Exact Mass429.14
IUPAC Name1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C
InChIInChI=1S/C18H22F3N5O2S/c1-5-25-15-9-13(18(19,20)21)7-8-14(15)23-17(25)11(3)24-29(27,28)16-10-22-26(6-2)12(16)4/h7-11,24H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyMEZQZIDNLMNGFT-LLVKDONJSA-N
XLogP3.64
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide (CID 59177194) is 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C.
What is the InChIKey of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is MEZQZIDNLMNGFT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22F3N5O2S/c1-5-25-15-9-13(18(19,20)21)7-8-14(15)23-17(25)11(3)24-29(27,28)16-10-22-26(6-2)12(16)4/h7-11,24H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide?
1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 429.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 59177194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).