N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide

C18H17ClN6O3S2 — CID 25049208

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H17ClN6O3S2/c1-2-14(29-18-20-10-3-11-21-18)17(26)22-12-4-6-13(7-5-12)30(27,28)25-16-9-8-15(19)23-24-16/h3-11,14H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyAOORHRQCXKUVDL-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.23
Rot. Bonds8

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide (PubChem CID 25049208) has the molecular formula C18H17ClN6O3S2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
PubChem CID25049208
Molecular FormulaC18H17ClN6O3S2
Molecular Weight464.96 g/mol
Exact Mass464.05
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H17ClN6O3S2/c1-2-14(29-18-20-10-3-11-21-18)17(26)22-12-4-6-13(7-5-12)30(27,28)25-16-9-8-15(19)23-24-16/h3-11,14H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyAOORHRQCXKUVDL-UHFFFAOYSA-N
XLogP3.23
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25043701
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 25045845
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]butanamide
CID 25039769
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 25049181
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanamide
CID 25038052
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25042188
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 28573679
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348
[1-[4-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate
CID 25037136

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide (CID 25049208) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide is CCC(Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide?
The InChIKey is AOORHRQCXKUVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O3S2/c1-2-14(29-18-20-10-3-11-21-18)17(26)22-12-4-6-13(7-5-12)30(27,28)25-16-9-8-15(19)23-24-16/h3-11,14H,2H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide has a molecular weight of 464.96 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide is sourced from PubChem (CID 25049208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).