N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide

C13H15F2N3O2S2 — CID 138052552

IUPACN-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1cscc1C(F)F
InChIInChI=1S/C13H15F2N3O2S2/c14-13(15)9-6-21-7-11(9)22(19,20)18-12-5-10(16-17-12)8-3-1-2-4-8/h5-8,13H,1-4H2,(H2,16,17,18)
InChIKeyJHIUBNTUDRJCTN-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.87
Rot. Bonds5

About N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide

N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide (PubChem CID 138052552) has the molecular formula C13H15F2N3O2S2 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide
PubChem CID138052552
Molecular FormulaC13H15F2N3O2S2
Molecular Weight347.41 g/mol
Exact Mass347.06
IUPAC NameN-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1cscc1C(F)F
InChIInChI=1S/C13H15F2N3O2S2/c14-13(15)9-6-21-7-11(9)22(19,20)18-12-5-10(16-17-12)8-3-1-2-4-8/h5-8,13H,1-4H2,(H2,16,17,18)
InChIKeyJHIUBNTUDRJCTN-UHFFFAOYSA-N
XLogP3.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-N-(6-ethoxy-2-pyridinyl)thiophene-3-sulfonamide
CID 138021169
N-[4-[(5-cycloheptyl-1H-pyrazol-3-yl)sulfamoyl]phenyl]propanamide
CID 166220793
4,5-dimethyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 75441833
1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-[4-fluoro-3-(methylsulfamoyl)phenyl]urea
CID 154860497
3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
CID 164880257
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
CID 63048865
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 128766710
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 75362957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 22176767
N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,4-d]pyrimidin-4-amine
CID 173150514
N-tert-butyl-5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methyl-2-pyridinyl]thiophene-2-sulfonamide
CID 58169181

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide (CID 138052552) is N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide is O=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1cscc1C(F)F.
What is the InChIKey of N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide?
The InChIKey is JHIUBNTUDRJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S2/c14-13(15)9-6-21-7-11(9)22(19,20)18-12-5-10(16-17-12)8-3-1-2-4-8/h5-8,13H,1-4H2,(H2,16,17,18).
What are the key properties of N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide?
N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide has a molecular weight of 347.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-(difluoromethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 138052552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).