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

C15H12F3N3O2S2 — CID 35974906

IUPAC5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)s1
InChIInChI=1S/C15H12F3N3O2S2/c1-10-3-6-14(24-10)25(22,23)20-12-9-11(15(16,17)18)4-5-13(12)21-8-2-7-19-21/h2-9,20H,1H3
InChIKeyQHXAJEGSOPCSRS-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.06
Rot. Bonds4

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

5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 35974906) has the molecular formula C15H12F3N3O2S2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID35974906
Molecular FormulaC15H12F3N3O2S2
Molecular Weight387.41 g/mol
Exact Mass387.03
IUPAC Name5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)s1
InChIInChI=1S/C15H12F3N3O2S2/c1-10-3-6-14(24-10)25(22,23)20-12-9-11(15(16,17)18)4-5-13(12)21-8-2-7-19-21/h2-9,20H,1H3
InChIKeyQHXAJEGSOPCSRS-UHFFFAOYSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 35974906) is 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)s1.
What is the InChIKey of 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is QHXAJEGSOPCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S2/c1-10-3-6-14(24-10)25(22,23)20-12-9-11(15(16,17)18)4-5-13(12)21-8-2-7-19-21/h2-9,20H,1H3.
What are the key properties of 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 387.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 35974906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).