N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide

C17H16F3N3O2S2 — CID 59632464

IUPACN-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C17H16F3N3O2S2/c1-3-23(12-7-5-4-6-8-12)27(24,25)16-10-9-14(26-16)13-11-15(17(18,19)20)22(2)21-13/h4-11H,3H2,1-2H3
InChIKeyHNUVXHNLOWYXSX-UHFFFAOYSA-N
MW415.46 g/mol
LogP4.38
Rot. Bonds5

About N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide

N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide (PubChem CID 59632464) has the molecular formula C17H16F3N3O2S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide
PubChem CID59632464
Molecular FormulaC17H16F3N3O2S2
Molecular Weight415.46 g/mol
Exact Mass415.06
IUPAC NameN-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C17H16F3N3O2S2/c1-3-23(12-7-5-4-6-8-12)27(24,25)16-10-9-14(26-16)13-11-15(17(18,19)20)22(2)21-13/h4-11H,3H2,1-2H3
InChIKeyHNUVXHNLOWYXSX-UHFFFAOYSA-N
XLogP4.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide (CID 59632464) is N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide?
The InChIKey is HNUVXHNLOWYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S2/c1-3-23(12-7-5-4-6-8-12)27(24,25)16-10-9-14(26-16)13-11-15(17(18,19)20)22(2)21-13/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide?
N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide has a molecular weight of 415.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 59632464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).