N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N4O3S — CID 47283294

IUPACN-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H17F3N4O3S/c1-14(7-9(10,11)12)8(17)6-15-2-4-16(5-3-15)20(13,18)19/h2-7H2,1H3,(H2,13,18,19)
InChIKeyIDXZWSDXJMNBKF-UHFFFAOYSA-N
MW318.32 g/mol
LogP-1.17
Rot. Bonds4

About N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47283294) has the molecular formula C9H17F3N4O3S and a molecular weight of 318.32 g/mol. Its IUPAC name is N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47283294
Molecular FormulaC9H17F3N4O3S
Molecular Weight318.32 g/mol
Exact Mass318.10
IUPAC NameN-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H17F3N4O3S/c1-14(7-9(10,11)12)8(17)6-15-2-4-16(5-3-15)20(13,18)19/h2-7H2,1H3,(H2,13,18,19)
InChIKeyIDXZWSDXJMNBKF-UHFFFAOYSA-N
XLogP-1.17
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 47283294) is N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IDXZWSDXJMNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O3S/c1-14(7-9(10,11)12)8(17)6-15-2-4-16(5-3-15)20(13,18)19/h2-7H2,1H3,(H2,13,18,19).
What are the key properties of N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 318.32 g/mol, XLogP of -1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-sulfamoylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47283294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).