N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide

C12H13FN4O2S2 — CID 154864525

IUPACN-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide
SMILESCC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2sccc2F)n1
InChIInChI=1S/C12H13FN4O2S2/c1-12(2,3)17-7-8(6-14)10(15-17)16-21(18,19)11-9(13)4-5-20-11/h4-5,7H,1-3H3,(H,15,16)
InChIKeyNPHJBZXFMCZIOV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.51
Rot. Bonds3

About N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide

N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide (PubChem CID 154864525) has the molecular formula C12H13FN4O2S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide
PubChem CID154864525
Molecular FormulaC12H13FN4O2S2
Molecular Weight328.39 g/mol
Exact Mass328.05
IUPAC NameN-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide
SMILESCC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2sccc2F)n1
InChIInChI=1S/C12H13FN4O2S2/c1-12(2,3)17-7-8(6-14)10(15-17)16-21(18,19)11-9(13)4-5-20-11/h4-5,7H,1-3H3,(H,15,16)
InChIKeyNPHJBZXFMCZIOV-UHFFFAOYSA-N
XLogP2.51
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Cyano-2-ethylpyrazol-3-YL)thiophene-2-sulfonamide
CID 91650693
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)thiophene-2-sulfonamide
CID 71853050
(1-Methylpyrazol-3-yl)(2-thienylsulfonyl)amine
CID 17378925
N-(1-ethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 22209193
3-amino-1-ethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 55176036
3-amino-N,1-dimethyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 60809444
3-amino-1-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 60809601
3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
CID 60809602
3-amino-N-(3-cyanothiophen-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61105570
3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide
CID 61105572
3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide
CID 61105762
1-Methyl-3-(thiophen-2-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61132466

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide?
The IUPAC name of N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide (CID 154864525) is N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide is CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2sccc2F)n1.
What is the InChIKey of N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide?
The InChIKey is NPHJBZXFMCZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S2/c1-12(2,3)17-7-8(6-14)10(15-17)16-21(18,19)11-9(13)4-5-20-11/h4-5,7H,1-3H3,(H,15,16).
What are the key properties of N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide?
N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-cyanopyrazol-3-yl)-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 154864525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).