5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C15H12ClN3O3S2 — CID 18588440

IUPAC5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)ccc1=O
InChIInChI=1S/C15H12ClN3O3S2/c1-19-14(20)8-6-12(17-19)10-2-4-11(5-3-10)18-24(21,22)15-9-7-13(16)23-15/h2-9,18H,1H3
InChIKeyWWDRBZCMBQKULH-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.96
Rot. Bonds4

About 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 18588440) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID18588440
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC Name5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)ccc1=O
InChIInChI=1S/C15H12ClN3O3S2/c1-19-14(20)8-6-12(17-19)10-2-4-11(5-3-10)18-24(21,22)15-9-7-13(16)23-15/h2-9,18H,1H3
InChIKeyWWDRBZCMBQKULH-UHFFFAOYSA-N
XLogP2.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 9676191
5-chloro-N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)thiophene-2-sulfonamide
CID 18588420
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923061
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20922995
3-chloro-4-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 41247231
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide
CID 50842290
N-(3-fluoro-4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134932
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 18588440) is 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)ccc1=O.
What is the InChIKey of 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WWDRBZCMBQKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/c1-19-14(20)8-6-12(17-19)10-2-4-11(5-3-10)18-24(21,22)15-9-7-13(16)23-15/h2-9,18H,1H3.
What are the key properties of 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 381.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 18588440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).