N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C23H23Cl2N3O3S — CID 31534798

IUPACN-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O3S/c1-15(2)17-5-3-16(4-6-17)14-27(18-7-8-18)32(30,31)20-11-9-19(10-12-20)28-23(29)22(25)21(24)13-26-28/h3-6,9-13,15,18H,7-8,14H2,1-2H3
InChIKeyVTWVHIUFDCSIOY-UHFFFAOYSA-N
MW492.43 g/mol
LogP5.02
Rot. Bonds7

About N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 31534798) has the molecular formula C23H23Cl2N3O3S and a molecular weight of 492.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID31534798
Molecular FormulaC23H23Cl2N3O3S
Molecular Weight492.43 g/mol
Exact Mass491.08
IUPAC NameN-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1
InChIInChI=1S/C23H23Cl2N3O3S/c1-15(2)17-5-3-16(4-6-17)14-27(18-7-8-18)32(30,31)20-11-9-19(10-12-20)28-23(29)22(25)21(24)13-26-28/h3-6,9-13,15,18H,7-8,14H2,1-2H3
InChIKeyVTWVHIUFDCSIOY-UHFFFAOYSA-N
XLogP5.02
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 46556556
dimethyl 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 24511103
5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]-2-methylbenzamide
CID 34045656
N-cyclopropyl-4-methoxy-3-nitro-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24511102
4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide
CID 55891962
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
CID 3456731
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540247
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 17491309
4-bromo-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 23830634
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55681994

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 31534798) is N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is VTWVHIUFDCSIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3S/c1-15(2)17-5-3-16(4-6-17)14-27(18-7-8-18)32(30,31)20-11-9-19(10-12-20)28-23(29)22(25)21(24)13-26-28/h3-6,9-13,15,18H,7-8,14H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 492.43 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 31534798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).