trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide

C11H11Cl2NO3S — CID 97211308

IUPACtrans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-18(16,17)14-11(15)9-5-8(9)7-3-2-6(12)4-10(7)13/h2-4,8-9H,5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyCQTFYATWNJXGEH-DTWKUNHWSA-N
MW308.19 g/mol
LogP2.17
Rot. Bonds3

About trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 97211308) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
PubChem CID97211308
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Nametrans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c1-18(16,17)14-11(15)9-5-8(9)7-3-2-6(12)4-10(7)13/h2-4,8-9H,5H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyCQTFYATWNJXGEH-DTWKUNHWSA-N
XLogP2.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide (CID 97211308) is trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide is CS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is CQTFYATWNJXGEH-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-18(16,17)14-11(15)9-5-8(9)7-3-2-6(12)4-10(7)13/h2-4,8-9H,5H2,1H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 308.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,4-dichlorophenyl)-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 97211308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).