N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H18FNO3S — CID 4110794

IUPACN-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1
InChIInChI=1S/C18H18FNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyCFEKOANLKCKGJB-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.39
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 4110794) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID4110794
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1
InChIInChI=1S/C18H18FNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyCFEKOANLKCKGJB-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 4110794) is N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is CFEKOANLKCKGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-12-3-7-15(8-4-12)24(22,23)18(9-10-18)17(21)20-14-6-5-13(2)16(19)11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 4110794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).