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N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide

C10H14F3N3O2S — CID 102692781

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)c1ccn[nH]1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(6-7)16-19(17,18)9-4-5-14-15-9/h4-5,7-8,16H,1-3,6H2,(H,14,15)
InChIKeyNCMVPIOICMTTPJ-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.81
Rot. Bonds3

About N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide

N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692781) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692781
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)c1ccn[nH]1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(6-7)16-19(17,18)9-4-5-14-15-9/h4-5,7-8,16H,1-3,6H2,(H,14,15)
InChIKeyNCMVPIOICMTTPJ-UHFFFAOYSA-N
XLogP1.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.81
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]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide (CID 102692781) is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCCC(C(F)(F)F)C1)c1ccn[nH]1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is NCMVPIOICMTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(6-7)16-19(17,18)9-4-5-14-15-9/h4-5,7-8,16H,1-3,6H2,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide?
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.81, 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]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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