N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

C14H16F3N3O2S2 — CID 46396393

IUPACN-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C14H16F3N3O2S2/c1-8-12(24(21,22)20-9-4-2-3-5-9)7-11(23-8)10-6-13(19-18-10)14(15,16)17/h6-7,9,20H,2-5H2,1H3,(H,18,19)
InChIKeyFGDRBNDCDRCSKC-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396393) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396393
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC NameN-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C14H16F3N3O2S2/c1-8-12(24(21,22)20-9-4-2-3-5-9)7-11(23-8)10-6-13(19-18-10)14(15,16)17/h6-7,9,20H,2-5H2,1H3,(H,18,19)
InChIKeyFGDRBNDCDRCSKC-UHFFFAOYSA-N
XLogP3.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396399
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 20947501
3,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 43242570
N-(2,4-difluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947422
N-(2-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947431
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 20947475
N-cyclohexyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396392

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396393) is N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is FGDRBNDCDRCSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c1-8-12(24(21,22)20-9-4-2-3-5-9)7-11(23-8)10-6-13(19-18-10)14(15,16)17/h6-7,9,20H,2-5H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).