N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide

C16H13ClFN3O3S2 — CID 50842290

IUPACN-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccc(=O)n(C)n2)cc1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H13ClFN3O3S2/c1-9-15(8-14(25-9)12-5-6-16(22)21(2)19-12)26(23,24)20-13-7-10(18)3-4-11(13)17/h3-8,20H,1-2H3
InChIKeyFTLYIOMFRSBSAT-UHFFFAOYSA-N
MW413.88 g/mol
LogP3.41
Rot. Bonds4

About N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide

N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide (PubChem CID 50842290) has the molecular formula C16H13ClFN3O3S2 and a molecular weight of 413.88 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide
PubChem CID50842290
Molecular FormulaC16H13ClFN3O3S2
Molecular Weight413.88 g/mol
Exact Mass413.01
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccc(=O)n(C)n2)cc1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H13ClFN3O3S2/c1-9-15(8-14(25-9)12-5-6-16(22)21(2)19-12)26(23,24)20-13-7-10(18)3-4-11(13)17/h3-8,20H,1-2H3
InChIKeyFTLYIOMFRSBSAT-UHFFFAOYSA-N
XLogP3.41
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 53.41
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
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923061
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134938
N-(2-chloro-4-fluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134941
N-(2,5-Difluorophenyl)-4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 53134956
N-(2,4-difluorophenyl)-4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134973
N-(2-fluorophenyl)-4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134978
N-(3-fluorophenyl)-4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134979

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide (CID 50842290) is N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide is Cc1sc(-c2ccc(=O)n(C)n2)cc1S(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is FTLYIOMFRSBSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S2/c1-9-15(8-14(25-9)12-5-6-16(22)21(2)19-12)26(23,24)20-13-7-10(18)3-4-11(13)17/h3-8,20H,1-2H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide?
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 413.88 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).