6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine

C16H19F2N5O2S — CID 71807510

IUPAC6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C16H19F2N5O2S/c1-21(2)12-9-16(20-19-11-12)22-5-7-23(8-6-22)26(24,25)13-3-4-14(17)15(18)10-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyKPQFBXRFFCSLEV-UHFFFAOYSA-N
MW383.42 g/mol
LogP1.33
Rot. Bonds4

About 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine

6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine (PubChem CID 71807510) has the molecular formula C16H19F2N5O2S and a molecular weight of 383.42 g/mol. Its IUPAC name is 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine.

Molecular Properties

Compound Name6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
PubChem CID71807510
Molecular FormulaC16H19F2N5O2S
Molecular Weight383.42 g/mol
Exact Mass383.12
IUPAC Name6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
SMILESCN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C16H19F2N5O2S/c1-21(2)12-9-16(20-19-11-12)22-5-7-23(8-6-22)26(24,25)13-3-4-14(17)15(18)10-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyKPQFBXRFFCSLEV-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-amine
CID 91968763
6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 122342832
6-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 91968767
1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 133352307
N-[[5-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122342848
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26204325
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The IUPAC name of 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine (CID 71807510) is 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine.
What is the SMILES notation for 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The canonical SMILES for 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine is CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
The InChIKey is KPQFBXRFFCSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2S/c1-21(2)12-9-16(20-19-11-12)22-5-7-23(8-6-22)26(24,25)13-3-4-14(17)15(18)10-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine?
6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine has a molecular weight of 383.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine is sourced from PubChem (CID 71807510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).