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

C15H11F4N3O2S2 — CID 46396399

IUPACN-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11F4N3O2S2/c1-8-13(26(23,24)22-10-4-2-3-9(16)5-10)7-12(25-8)11-6-14(21-20-11)15(17,18)19/h2-7,22H,1H3,(H,20,21)
InChIKeyDBGPDOLPJZWQDT-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.41
Rot. Bonds4

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

N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396399) has the molecular formula C15H11F4N3O2S2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396399
Molecular FormulaC15H11F4N3O2S2
Molecular Weight405.40 g/mol
Exact Mass405.02
IUPAC NameN-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H11F4N3O2S2/c1-8-13(26(23,24)22-10-4-2-3-9(16)5-10)7-12(25-8)11-6-14(21-20-11)15(17,18)19/h2-7,22H,1H3,(H,20,21)
InChIKeyDBGPDOLPJZWQDT-UHFFFAOYSA-N
XLogP4.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396399) is N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is DBGPDOLPJZWQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2S2/c1-8-13(26(23,24)22-10-4-2-3-9(16)5-10)7-12(25-8)11-6-14(21-20-11)15(17,18)19/h2-7,22H,1H3,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 405.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).