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

C15H12ClN3O3S2 — CID 53134966

IUPACN-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)ccc1=O
InChIInChI=1S/C15H12ClN3O3S2/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
InChIKeyIJPZBFMWQKDMCR-UHFFFAOYSA-N
MW381.87 g/mol
LogP2.96
Rot. Bonds4

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

N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134966) has the molecular formula C15H12ClN3O3S2 and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134966
Molecular FormulaC15H12ClN3O3S2
Molecular Weight381.87 g/mol
Exact Mass381.00
IUPAC NameN-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCn1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)ccc1=O
InChIInChI=1S/C15H12ClN3O3S2/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
InChIKeyIJPZBFMWQKDMCR-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-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135003
N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
N-[(4-ethylphenyl)methyl]-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135094
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 41247187
4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 53135040
4,5-dibromo-N-(3-chlorophenyl)thiophene-2-sulfonamide
CID 3830186
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134936

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53134966) is N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is Cn1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)ccc1=O.
What is the InChIKey of N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is IJPZBFMWQKDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S2/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-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)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 N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).