N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide

C18H17ClN4O2S — CID 162661570

IUPACN-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-23(2)15-6-8-16(9-7-15)26(24,25)22-18-11-10-17(20-21-18)13-4-3-5-14(19)12-13/h3-12H,1-2H3,(H,21,22)
InChIKeyJFVMDNCXMKAMMN-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.66
Rot. Bonds5

About N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide

N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide (PubChem CID 162661570) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide
PubChem CID162661570
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)cc1
InChIInChI=1S/C18H17ClN4O2S/c1-23(2)15-6-8-16(9-7-15)26(24,25)22-18-11-10-17(20-21-18)13-4-3-5-14(19)12-13/h3-12H,1-2H3,(H,21,22)
InChIKeyJFVMDNCXMKAMMN-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide?
The IUPAC name of N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide (CID 162661570) is N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide.
What is the SMILES notation for N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide?
The canonical SMILES for N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide is CN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)nn2)cc1.
What is the InChIKey of N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide?
The InChIKey is JFVMDNCXMKAMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-23(2)15-6-8-16(9-7-15)26(24,25)22-18-11-10-17(20-21-18)13-4-3-5-14(19)12-13/h3-12H,1-2H3,(H,21,22).
What are the key properties of N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide?
N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)pyridazin-3-yl]-4-(dimethylamino)benzenesulfonamide is sourced from PubChem (CID 162661570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).