2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

C15H12F2N2O3S — CID 71988378

IUPAC2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)C1CC1c1cccc(F)c1F
InChIInChI=1S/C15H12F2N2O3S/c16-13-5-1-4-10(14(13)17)11-7-12(11)15(20)19-23(21,22)9-3-2-6-18-8-9/h1-6,8,11-12H,7H2,(H,19,20)
InChIKeyMNSYERLNWIWIBW-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide

2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (PubChem CID 71988378) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
PubChem CID71988378
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccnc1)C1CC1c1cccc(F)c1F
InChIInChI=1S/C15H12F2N2O3S/c16-13-5-1-4-10(14(13)17)11-7-12(11)15(20)19-23(21,22)9-3-2-6-18-8-9/h1-6,8,11-12H,7H2,(H,19,20)
InChIKeyMNSYERLNWIWIBW-UHFFFAOYSA-N
XLogP1.97
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide (CID 71988378) is 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1cccnc1)C1CC1c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
The InChIKey is MNSYERLNWIWIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c16-13-5-1-4-10(14(13)17)11-7-12(11)15(20)19-23(21,22)9-3-2-6-18-8-9/h1-6,8,11-12H,7H2,(H,19,20).
What are the key properties of 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide?
2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 71988378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).