N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H13F3N2O2S — CID 83058077

IUPACN-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-5H2
InChIKeyLOMSTWIYEQHNFE-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.55
Rot. Bonds6

About N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058077) has the molecular formula C9H13F3N2O2S and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058077
Molecular FormulaC9H13F3N2O2S
Molecular Weight270.28 g/mol
Exact Mass270.06
IUPAC NameN-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#CC(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-5H2
InChIKeyLOMSTWIYEQHNFE-UHFFFAOYSA-N
XLogP1.55
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058077) is N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is N#CC(NS(=O)(=O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LOMSTWIYEQHNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S/c10-9(11,12)4-1-5-17(15,16)14-8(6-13)7-2-3-7/h7-8,14H,1-5H2.
What are the key properties of N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 270.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).