N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C18H15ClF3NO3S — CID 15989015

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C18H15ClF3NO3S/c1-11-2-5-13(6-3-11)27(25,26)17(8-9-17)16(24)23-12-4-7-15(19)14(10-12)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyDDPLNEQTSINELF-UHFFFAOYSA-N
MW417.84 g/mol
LogP4.61
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 15989015) has the molecular formula C18H15ClF3NO3S and a molecular weight of 417.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID15989015
Molecular FormulaC18H15ClF3NO3S
Molecular Weight417.84 g/mol
Exact Mass417.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C18H15ClF3NO3S/c1-11-2-5-13(6-3-11)27(25,26)17(8-9-17)16(24)23-12-4-7-15(19)14(10-12)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyDDPLNEQTSINELF-UHFFFAOYSA-N
XLogP4.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 15989015) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is DDPLNEQTSINELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3S/c1-11-2-5-13(6-3-11)27(25,26)17(8-9-17)16(24)23-12-4-7-15(19)14(10-12)18(20,21)22/h2-7,10H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 417.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15989015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).