N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C18H16F4N2O3S — CID 112812976

IUPACN-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CC2c2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C18H16F4N2O3S/c1-28(26,27)24-16-8-10(6-7-15(16)19)23-17(25)13-9-12(13)11-4-2-3-5-14(11)18(20,21)22/h2-8,12-13,24H,9H2,1H3,(H,23,25)
InChIKeyILHMWUASSHNSJS-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.96
Rot. Bonds5

About N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112812976) has the molecular formula C18H16F4N2O3S and a molecular weight of 416.40 g/mol. Its IUPAC name is N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112812976
Molecular FormulaC18H16F4N2O3S
Molecular Weight416.40 g/mol
Exact Mass416.08
IUPAC NameN-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)C2CC2c2ccccc2C(F)(F)F)ccc1F
InChIInChI=1S/C18H16F4N2O3S/c1-28(26,27)24-16-8-10(6-7-15(16)19)23-17(25)13-9-12(13)11-4-2-3-5-14(11)18(20,21)22/h2-8,12-13,24H,9H2,1H3,(H,23,25)
InChIKeyILHMWUASSHNSJS-UHFFFAOYSA-N
XLogP3.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112812976) is N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)C2CC2c2ccccc2C(F)(F)F)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ILHMWUASSHNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3S/c1-28(26,27)24-16-8-10(6-7-15(16)19)23-17(25)13-9-12(13)11-4-2-3-5-14(11)18(20,21)22/h2-8,12-13,24H,9H2,1H3,(H,23,25).
What are the key properties of N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 416.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112812976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).