cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C15H12F3N3O3S — CID 99696590

IUPACcis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(22)21-25(23,24)13-8-19-4-5-20-13/h1-6,8,11-12H,7H2,(H,21,22)/t11-,12-/m1/s1
InChIKeyUIHLOZZQSACYRG-VXGBXAGGSA-N
MW371.34 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 99696590) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID99696590
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC Namecis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(22)21-25(23,24)13-8-19-4-5-20-13/h1-6,8,11-12H,7H2,(H,21,22)/t11-,12-/m1/s1
InChIKeyUIHLOZZQSACYRG-VXGBXAGGSA-N
XLogP2.10
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 99696590) is cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1cnccn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UIHLOZZQSACYRG-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(22)21-25(23,24)13-8-19-4-5-20-13/h1-6,8,11-12H,7H2,(H,21,22)/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99696590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).