N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C14H9F2N3O3S2 — CID 53134936

IUPACN-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1
InChIInChI=1S/C14H9F2N3O3S2/c15-10-2-1-9(6-11(10)16)19-24(21,22)14-5-8(7-23-14)12-3-4-13(20)18-17-12/h1-7,19H,(H,18,20)
InChIKeyAPJZHODAKMMBJD-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.58
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134936) has the molecular formula C14H9F2N3O3S2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134936
Molecular FormulaC14H9F2N3O3S2
Molecular Weight369.37 g/mol
Exact Mass369.01
IUPAC NameN-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1
InChIInChI=1S/C14H9F2N3O3S2/c15-10-2-1-9(6-11(10)16)19-24(21,22)14-5-8(7-23-14)12-3-4-13(20)18-17-12/h1-7,19H,(H,18,20)
InChIKeyAPJZHODAKMMBJD-UHFFFAOYSA-N
XLogP2.58
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
N-(2,5-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134880
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135075
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134936) is N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(F)c(F)c3)c2)n[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is APJZHODAKMMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S2/c15-10-2-1-9(6-11(10)16)19-24(21,22)14-5-8(7-23-14)12-3-4-13(20)18-17-12/h1-7,19H,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).