4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C16H21F3N4O4S — CID 47031936

IUPAC4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N4O4S/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)21-4-6-22(7-5-21)28(25,26)23-8-10-27-11-9-23/h1-3,12H,4-11H2,(H,20,24)
InChIKeyAAYUMRQNBAFECG-UHFFFAOYSA-N
MW422.43 g/mol
LogP1.43
Rot. Bonds3

About 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 47031936) has the molecular formula C16H21F3N4O4S and a molecular weight of 422.43 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID47031936
Molecular FormulaC16H21F3N4O4S
Molecular Weight422.43 g/mol
Exact Mass422.12
IUPAC Name4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N4O4S/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)21-4-6-22(7-5-21)28(25,26)23-8-10-27-11-9-23/h1-3,12H,4-11H2,(H,20,24)
InChIKeyAAYUMRQNBAFECG-UHFFFAOYSA-N
XLogP1.43
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 47031936) is 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is AAYUMRQNBAFECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O4S/c17-16(18,19)13-2-1-3-14(12-13)20-15(24)21-4-6-22(7-5-21)28(25,26)23-8-10-27-11-9-23/h1-3,12H,4-11H2,(H,20,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47031936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).