2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide

C17H22F2N2O3S — CID 86794139

IUPAC2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1NC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O3S/c1-25(23,24)21-15-8-3-2-7-14(15)20-17(22)11-9-10(11)16-12(18)5-4-6-13(16)19/h4-6,10-11,14-15,21H,2-3,7-9H2,1H3,(H,20,22)
InChIKeyZCKMLYZKZOHKLX-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.04
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 86794139) has the molecular formula C17H22F2N2O3S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID86794139
Molecular FormulaC17H22F2N2O3S
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC Name2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC1CCCCC1NC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C17H22F2N2O3S/c1-25(23,24)21-15-8-3-2-7-14(15)20-17(22)11-9-10(11)16-12(18)5-4-6-13(16)19/h4-6,10-11,14-15,21H,2-3,7-9H2,1H3,(H,20,22)
InChIKeyZCKMLYZKZOHKLX-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide (CID 86794139) is 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide is CS(=O)(=O)NC1CCCCC1NC(=O)C1CC1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is ZCKMLYZKZOHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3S/c1-25(23,24)21-15-8-3-2-7-14(15)20-17(22)11-9-10(11)16-12(18)5-4-6-13(16)19/h4-6,10-11,14-15,21H,2-3,7-9H2,1H3,(H,20,22).
What are the key properties of 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide?
2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[2-(methanesulfonamido)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86794139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).