N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C14H10F3N3O2S2 — CID 8844346

IUPACN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1
InChIInChI=1S/C14H10F3N3O2S2/c15-14(16,17)10-4-5-12(20-7-2-6-18-20)11(9-10)19-24(21,22)13-3-1-8-23-13/h1-9,19H
InChIKeyBKMHDRQOPSOXOG-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.75
Rot. Bonds4

About N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 8844346) has the molecular formula C14H10F3N3O2S2 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID8844346
Molecular FormulaC14H10F3N3O2S2
Molecular Weight373.38 g/mol
Exact Mass373.02
IUPAC NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1
InChIInChI=1S/C14H10F3N3O2S2/c15-14(16,17)10-4-5-12(20-7-2-6-18-20)11(9-10)19-24(21,22)13-3-1-8-23-13/h1-9,19H
InChIKeyBKMHDRQOPSOXOG-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 8844346) is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccs1.
What is the InChIKey of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is BKMHDRQOPSOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S2/c15-14(16,17)10-4-5-12(20-7-2-6-18-20)11(9-10)19-24(21,22)13-3-1-8-23-13/h1-9,19H.
What are the key properties of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 373.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8844346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).