N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

C9H14F3N3O2S — CID 102692155

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14F3N3O2S/c1-2-3-6-15(7-9(10,11)12)18(16,17)8-4-5-13-14-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyCXSORKQWKOOIEC-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.76
Rot. Bonds6

About N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide

N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692155) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692155
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H14F3N3O2S/c1-2-3-6-15(7-9(10,11)12)18(16,17)8-4-5-13-14-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyCXSORKQWKOOIEC-UHFFFAOYSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-fluoro-1H-pyrazole-5-sulfonamide
CID 140446780
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268215
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 47268216
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784435
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-sulfonamide
CID 102690999
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691536
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102692155) is N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is CXSORKQWKOOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-2-3-6-15(7-9(10,11)12)18(16,17)8-4-5-13-14-8/h4-5H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide?
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).