N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide

C18H25N5O3S — CID 113044795

IUPACN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C18H25N5O3S/c1-5-6-13-23(4)17-12-11-16(20-21-17)19-18(24)14-7-9-15(10-8-14)27(25,26)22(2)3/h7-12H,5-6,13H2,1-4H3,(H,19,20,24)
InChIKeyBNWZLMNLOLVKID-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.22
Rot. Bonds8

About N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide

N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 113044795) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID113044795
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCCCCN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1
InChIInChI=1S/C18H25N5O3S/c1-5-6-13-23(4)17-12-11-16(20-21-17)19-18(24)14-7-9-15(10-8-14)27(25,26)22(2)3/h7-12H,5-6,13H2,1-4H3,(H,19,20,24)
InChIKeyBNWZLMNLOLVKID-UHFFFAOYSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(6-methylsulfanylpyridazin-3-yl)benzamide
CID 42172358
tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113044818
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242
N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
CID 113044823
N-[5-(tert-butylamino)-2-pyridinyl]-4-(dimethylsulfamoyl)benzamide
CID 113030001
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide (CID 113044795) is N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide is CCCCN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BNWZLMNLOLVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-5-6-13-23(4)17-12-11-16(20-21-17)19-18(24)14-7-9-15(10-8-14)27(25,26)22(2)3/h7-12H,5-6,13H2,1-4H3,(H,19,20,24).
What are the key properties of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide?
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 391.50 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 113044795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).