N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

C10H14F3N3O2S — CID 61275607

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-15-6-9/h5-8,16H,1-4H2,(H,14,15)
InChIKeyYSCKTYSSJDIKHI-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.81
Rot. Bonds3

About N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61275607) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID61275607
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-15-6-9/h5-8,16H,1-4H2,(H,14,15)
InChIKeyYSCKTYSSJDIKHI-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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Related Compounds

N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 47363941
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54876542
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61273846
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61274028
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61274030
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 61274671
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
1-(1H-pyrazol-4-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530849
N-(4,4,4-trifluorobutyl)-1H-pyrazole-4-sulfonamide
CID 79040744
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692682
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692683
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692781

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 61275607) is N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1CCCC(C(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YSCKTYSSJDIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-15-6-9/h5-8,16H,1-4H2,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
N-[3-(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-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).