N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

C10H14F3N3O2S — CID 61274030

IUPACN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h5-6,8-9,16H,1-4H2,(H,14,15)
InChIKeyPKBRKZYRFGIJAM-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.81
Rot. Bonds3

About N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61274030) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID61274030
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h5-6,8-9,16H,1-4H2,(H,14,15)
InChIKeyPKBRKZYRFGIJAM-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-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 61274030) is N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1CCCCC1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PKBRKZYRFGIJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)8-3-1-2-4-9(8)16-19(17,18)7-5-14-15-6-7/h5-6,8-9,16H,1-4H2,(H,14,15).
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-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-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).