trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide

C15H13F2NO4S — CID 97067638

IUPACtrans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F
InChIInChI=1S/C15H13F2NO4S/c1-8-5-12(17)14(7-11(8)16)23(20,21)18-15(19)10-6-9(10)13-3-2-4-22-13/h2-5,7,9-10H,6H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyYBDQJMWHGGBANG-NXEZZACHSA-N
MW341.34 g/mol
LogP2.47
Rot. Bonds4

About trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97067638) has the molecular formula C15H13F2NO4S and a molecular weight of 341.34 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97067638
Molecular FormulaC15H13F2NO4S
Molecular Weight341.34 g/mol
Exact Mass341.05
IUPAC Nametrans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F
InChIInChI=1S/C15H13F2NO4S/c1-8-5-12(17)14(7-11(8)16)23(20,21)18-15(19)10-6-9(10)13-3-2-4-22-13/h2-5,7,9-10H,6H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyYBDQJMWHGGBANG-NXEZZACHSA-N
XLogP2.47
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97067638) is trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)cc1F.
What is the InChIKey of trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YBDQJMWHGGBANG-NXEZZACHSA-N. The full InChI is InChI=1S/C15H13F2NO4S/c1-8-5-12(17)14(7-11(8)16)23(20,21)18-15(19)10-6-9(10)13-3-2-4-22-13/h2-5,7,9-10H,6H2,1H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).