N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C13H15F3N2O4S — CID 4963811

IUPACN-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)22-10-3-5-11(6-4-10)23(20,21)17-8-7-12(19)18-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyZDFCXVKRCZJMRO-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.53
Rot. Bonds7

About N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 4963811) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID4963811
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC NameN-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C13H15F3N2O4S/c14-13(15,16)22-10-3-5-11(6-4-10)23(20,21)17-8-7-12(19)18-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19)
InChIKeyZDFCXVKRCZJMRO-UHFFFAOYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 4963811) is N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is ZDFCXVKRCZJMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c14-13(15,16)22-10-3-5-11(6-4-10)23(20,21)17-8-7-12(19)18-9-1-2-9/h3-6,9,17H,1-2,7-8H2,(H,18,19).
What are the key properties of N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 352.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 4963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).