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

C15H12FN3O3S2 — CID 53134978

IUPACN-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)ccc1=O
InChIInChI=1S/C15H12FN3O3S2/c1-19-14(20)7-6-12(17-19)10-8-15(23-9-10)24(21,22)18-13-5-3-2-4-11(13)16/h2-9,18H,1H3
InChIKeyAVZVXHOQRFMDOL-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.45
Rot. Bonds4

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

N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134978) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134978
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)ccc1=O
InChIInChI=1S/C15H12FN3O3S2/c1-19-14(20)7-6-12(17-19)10-8-15(23-9-10)24(21,22)18-13-5-3-2-4-11(13)16/h2-9,18H,1H3
InChIKeyAVZVXHOQRFMDOL-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53134978) is N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is Cn1nc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)ccc1=O.
What is the InChIKey of N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is AVZVXHOQRFMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-19-14(20)7-6-12(17-19)10-8-15(23-9-10)24(21,22)18-13-5-3-2-4-11(13)16/h2-9,18H,1H3.
What are the key properties of N-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-(2-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-(2-fluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).