N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C14H19F3N2O4S — CID 47062308

IUPACN,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-3-19(4-2)13(20)9-10-18-24(21,22)12-8-6-5-7-11(12)23-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyGSKHHALTXLMLAL-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.12
Rot. Bonds8

About N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 47062308) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID47062308
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC NameN,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O4S/c1-3-19(4-2)13(20)9-10-18-24(21,22)12-8-6-5-7-11(12)23-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3
InChIKeyGSKHHALTXLMLAL-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55549968
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 47062308) is N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is CCN(CC)C(=O)CCNS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is GSKHHALTXLMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-3-19(4-2)13(20)9-10-18-24(21,22)12-8-6-5-7-11(12)23-14(15,16)17/h5-8,18H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 368.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 47062308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).