N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

C15H12FN3O3S2 — CID 53134979

IUPACN-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)ccc1=O
InChIInChI=1S/C15H12FN3O3S2/c1-19-14(20)6-5-13(17-19)10-7-15(23-9-10)24(21,22)18-12-4-2-3-11(16)8-12/h2-9,18H,1H3
InChIKeyUQXKXANKPYNDNG-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.45
Rot. Bonds4

About N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134979) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134979
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)ccc1=O
InChIInChI=1S/C15H12FN3O3S2/c1-19-14(20)6-5-13(17-19)10-7-15(23-9-10)24(21,22)18-12-4-2-3-11(16)8-12/h2-9,18H,1H3
InChIKeyUQXKXANKPYNDNG-UHFFFAOYSA-N
XLogP2.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
5-chloro-N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)thiophene-2-sulfonamide
CID 18588420
5-chloro-N-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 18588440
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816
N-(2,4-difluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923010
N-[(4-fluorophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923055
N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939795
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 46280110

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53134979) is N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is Cn1nc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)ccc1=O.
What is the InChIKey of N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is UQXKXANKPYNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-19-14(20)6-5-13(17-19)10-7-15(23-9-10)24(21,22)18-12-4-2-3-11(16)8-12/h2-9,18H,1H3.
What are the key properties of N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).