N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine

C21H21BrN4O3S — CID 53104691

IUPACN-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(Nc3cccc(Br)c3)nn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21BrN4O3S/c1-15-5-6-16(13-20(15)30(27,28)26-9-11-29-12-10-26)19-7-8-21(25-24-19)23-18-4-2-3-17(22)14-18/h2-8,13-14H,9-12H2,1H3,(H,23,25)
InChIKeySLOCJFWLHVNILH-UHFFFAOYSA-N
MW489.40 g/mol
LogP3.98
Rot. Bonds5

About N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine

N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine (PubChem CID 53104691) has the molecular formula C21H21BrN4O3S and a molecular weight of 489.40 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
PubChem CID53104691
Molecular FormulaC21H21BrN4O3S
Molecular Weight489.40 g/mol
Exact Mass488.05
IUPAC NameN-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
SMILESCc1ccc(-c2ccc(Nc3cccc(Br)c3)nn2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21BrN4O3S/c1-15-5-6-16(13-20(15)30(27,28)26-9-11-29-12-10-26)19-7-8-21(25-24-19)23-18-4-2-3-17(22)14-18/h2-8,13-14H,9-12H2,1H3,(H,23,25)
InChIKeySLOCJFWLHVNILH-UHFFFAOYSA-N
XLogP3.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104636
N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
CID 53104600
N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53010149
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(3-methylphenyl)methyl]pyridazin-3-one
CID 23611730
4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine?
The IUPAC name of N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine (CID 53104691) is N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine is Cc1ccc(-c2ccc(Nc3cccc(Br)c3)nn2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine?
The InChIKey is SLOCJFWLHVNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O3S/c1-15-5-6-16(13-20(15)30(27,28)26-9-11-29-12-10-26)19-7-8-21(25-24-19)23-18-4-2-3-17(22)14-18/h2-8,13-14H,9-12H2,1H3,(H,23,25).
What are the key properties of N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine?
N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine has a molecular weight of 489.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine is sourced from PubChem (CID 53104691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).