cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide

C14H18FNO3S — CID 95786746

IUPACcis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)CCCF)c1
InChIInChI=1S/C14H18FNO3S/c1-10-4-2-5-11(8-10)12-9-13(12)14(17)16-20(18,19)7-3-6-15/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyWLTPWUPUUZWSFJ-CHWSQXEVSA-N
MW299.37 g/mol
LogP1.90
Rot. Bonds6

About cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 95786746) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID95786746
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Namecis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)CCCF)c1
InChIInChI=1S/C14H18FNO3S/c1-10-4-2-5-11(8-10)12-9-13(12)14(17)16-20(18,19)7-3-6-15/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyWLTPWUPUUZWSFJ-CHWSQXEVSA-N
XLogP1.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide (CID 95786746) is cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc([C@H]2C[C@H]2C(=O)NS(=O)(=O)CCCF)c1.
What is the InChIKey of cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WLTPWUPUUZWSFJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-10-4-2-5-11(8-10)12-9-13(12)14(17)16-20(18,19)7-3-6-15/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3-fluoropropylsulfonyl)-2-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95786746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).