N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H9ClF3N3O3S2 — CID 20922995

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)n[nH]1
InChIInChI=1S/C15H9ClF3N3O3S2/c16-10-2-1-8(7-9(10)15(17,18)19)22-27(24,25)14-6-4-12(26-14)11-3-5-13(23)21-20-11/h1-7,22H,(H,21,23)
InChIKeyBHILECIEQZLJMC-UHFFFAOYSA-N
MW435.84 g/mol
LogP3.97
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20922995) has the molecular formula C15H9ClF3N3O3S2 and a molecular weight of 435.84 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20922995
Molecular FormulaC15H9ClF3N3O3S2
Molecular Weight435.84 g/mol
Exact Mass434.97
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)n[nH]1
InChIInChI=1S/C15H9ClF3N3O3S2/c16-10-2-1-8(7-9(10)15(17,18)19)22-27(24,25)14-6-4-12(26-14)11-3-5-13(23)21-20-11/h1-7,22H,(H,21,23)
InChIKeyBHILECIEQZLJMC-UHFFFAOYSA-N
XLogP3.97
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20922995) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)n[nH]1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is BHILECIEQZLJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O3S2/c16-10-2-1-8(7-9(10)15(17,18)19)22-27(24,25)14-6-4-12(26-14)11-3-5-13(23)21-20-11/h1-7,22H,(H,21,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 435.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20922995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).