trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide

C15H15NO6S2 — CID 95589094

IUPACtrans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)c1
InChIInChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyHBELYJZRBWEPID-CHWSQXEVSA-N
MW369.42 g/mol
LogP1.29
Rot. Bonds5

About trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 95589094) has the molecular formula C15H15NO6S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID95589094
Molecular FormulaC15H15NO6S2
Molecular Weight369.42 g/mol
Exact Mass369.03
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)c1
InChIInChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyHBELYJZRBWEPID-CHWSQXEVSA-N
XLogP1.29
TPSA110.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide (CID 95589094) is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide is CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccco2)c1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is HBELYJZRBWEPID-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H15NO6S2/c1-23(18,19)10-4-2-5-11(8-10)24(20,21)16-15(17)13-9-12(13)14-6-3-7-22-14/h2-8,12-13H,9H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 95589094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).