N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide

C11H20F3N3O2S — CID 61254499

IUPACN-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-2-1-3-10(8-9)16-20(18,19)17-6-4-15-5-7-17/h9-10,15-16H,1-8H2
InChIKeySXPSTMNDQZQLJJ-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.85
Rot. Bonds3

About N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide

N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide (PubChem CID 61254499) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
PubChem CID61254499
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)N1CCNCC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)9-2-1-3-10(8-9)16-20(18,19)17-6-4-15-5-7-17/h9-10,15-16H,1-8H2
InChIKeySXPSTMNDQZQLJJ-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide (CID 61254499) is N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide is O=S(=O)(NC1CCCC(C(F)(F)F)C1)N1CCNCC1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide?
The InChIKey is SXPSTMNDQZQLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)9-2-1-3-10(8-9)16-20(18,19)17-6-4-15-5-7-17/h9-10,15-16H,1-8H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide?
N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61254499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).