N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

C11H16F3N3O2S — CID 154843340

IUPACN-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cn[nH]c2C(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3N3O2S/c1-10(4-2-3-5-10)7-16-20(18,19)8-6-15-17-9(8)11(12,13)14/h6,16H,2-5,7H2,1H3,(H,15,17)
InChIKeyUHTHJDQLXSBERT-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 154843340) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID154843340
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC NameN-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cn[nH]c2C(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3N3O2S/c1-10(4-2-3-5-10)7-16-20(18,19)8-6-15-17-9(8)11(12,13)14/h6,16H,2-5,7H2,1H3,(H,15,17)
InChIKeyUHTHJDQLXSBERT-UHFFFAOYSA-N
XLogP2.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 154843340) is N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is CC1(CNS(=O)(=O)c2cn[nH]c2C(F)(F)F)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is UHTHJDQLXSBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-10(4-2-3-5-10)7-16-20(18,19)8-6-15-17-9(8)11(12,13)14/h6,16H,2-5,7H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 154843340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).