N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

C15H11F2N3O3S2 — CID 53134956

IUPACN-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cc(F)ccc3F)c2)ccc1=O
InChIInChI=1S/C15H11F2N3O3S2/c1-20-14(21)5-4-12(18-20)9-6-15(24-8-9)25(22,23)19-13-7-10(16)2-3-11(13)17/h2-8,19H,1H3
InChIKeyCWJQUTMIOWYFJB-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.59
Rot. Bonds4

About N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134956) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134956
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC NameN-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cc(F)ccc3F)c2)ccc1=O
InChIInChI=1S/C15H11F2N3O3S2/c1-20-14(21)5-4-12(18-20)9-6-15(24-8-9)25(22,23)19-13-7-10(16)2-3-11(13)17/h2-8,19H,1H3
InChIKeyCWJQUTMIOWYFJB-UHFFFAOYSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53134956) is N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is Cn1nc(-c2csc(S(=O)(=O)Nc3cc(F)ccc3F)c2)ccc1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is CWJQUTMIOWYFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c1-20-14(21)5-4-12(18-20)9-6-15(24-8-9)25(22,23)19-13-7-10(16)2-3-11(13)17/h2-8,19H,1H3.
What are the key properties of N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 383.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).