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

C16H12F3N3O3S2 — CID 53083758

IUPACN-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1
InChIInChI=1S/C16H12F3N3O3S2/c1-9(23)10-3-2-4-11(7-10)22-27(24,25)15-6-5-13(26-15)12-8-14(21-20-12)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyNOIINUZOIZULQU-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.16
Rot. Bonds5

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

N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53083758) has the molecular formula C16H12F3N3O3S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID53083758
Molecular FormulaC16H12F3N3O3S2
Molecular Weight415.42 g/mol
Exact Mass415.03
IUPAC NameN-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1
InChIInChI=1S/C16H12F3N3O3S2/c1-9(23)10-3-2-4-11(7-10)22-27(24,25)15-6-5-13(26-15)12-8-14(21-20-12)16(17,18)19/h2-8,22H,1H3,(H,20,21)
InChIKeyNOIINUZOIZULQU-UHFFFAOYSA-N
XLogP4.16
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 53083758) is N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is NOIINUZOIZULQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S2/c1-9(23)10-3-2-4-11(7-10)22-27(24,25)15-6-5-13(26-15)12-8-14(21-20-12)16(17,18)19/h2-8,22H,1H3,(H,20,21).
What are the key properties of N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 415.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53083758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).