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

C17H20F3N5O2S — CID 59177166

IUPAC1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1
InChIInChI=1S/C17H20F3N5O2S/c1-4-24-10-13(9-21-24)28(26,27)23-11(3)16-22-14-7-6-12(17(18,19)20)8-15(14)25(16)5-2/h6-11,23H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyNBUCDIQFOXMYJN-LLVKDONJSA-N
MW415.44 g/mol
LogP3.33
Rot. Bonds6

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

1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 59177166) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID59177166
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC Name1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1
InChIInChI=1S/C17H20F3N5O2S/c1-4-24-10-13(9-21-24)28(26,27)23-11(3)16-22-14-7-6-12(17(18,19)20)8-15(14)25(16)5-2/h6-11,23H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyNBUCDIQFOXMYJN-LLVKDONJSA-N
XLogP3.33
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.33
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]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide (CID 59177166) is 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1.
What is the InChIKey of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is NBUCDIQFOXMYJN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c1-4-24-10-13(9-21-24)28(26,27)23-11(3)16-22-14-7-6-12(17(18,19)20)8-15(14)25(16)5-2/h6-11,23H,4-5H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 415.44 g/mol, XLogP of 3.33, 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]pyrazole-4-sulfonamide is sourced from PubChem (CID 59177166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).