4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline

C11H13N3O3S — CID 154106202

IUPAC4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline
SMILESCOC1=CC=CN(S(=O)(=O)c2ccc(N)cc2)N1
InChIInChI=1S/C11H13N3O3S/c1-17-11-3-2-8-14(13-11)18(15,16)10-6-4-9(12)5-7-10/h2-8,13H,12H2,1H3
InChIKeyYNDLUXKEQJTDTI-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.78
Rot. Bonds3

About 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline

4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline (PubChem CID 154106202) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline
PubChem CID154106202
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline
SMILESCOC1=CC=CN(S(=O)(=O)c2ccc(N)cc2)N1
InChIInChI=1S/C11H13N3O3S/c1-17-11-3-2-8-14(13-11)18(15,16)10-6-4-9(12)5-7-10/h2-8,13H,12H2,1H3
InChIKeyYNDLUXKEQJTDTI-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(azirin-1-ylsulfonyl)aniline
CID 149149794
4-amino-N-(4,6-dimethoxy-1H-triazin-2-yl)benzenesulfonamide
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4-aminobenzenesulfonamide;fluoromethane
CID 159574204
1-(4-aminophenyl)sulfonyl-2,2,6,6-tetramethylpiperidin-4-one
CID 22688879
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
4-amino-N-methoxy-N-methylbenzenesulfonamide
CID 4962658
4-(N,S-dimethylsulfonimidoyl)aniline
CID 59674088
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
4-(2-methoxyphenyl)sulfonylaniline
CID 10801498

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline?
The IUPAC name of 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline (CID 154106202) is 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline.
What is the SMILES notation for 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline?
The canonical SMILES for 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline is COC1=CC=CN(S(=O)(=O)c2ccc(N)cc2)N1.
What is the InChIKey of 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline?
The InChIKey is YNDLUXKEQJTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-11-3-2-8-14(13-11)18(15,16)10-6-4-9(12)5-7-10/h2-8,13H,12H2,1H3.
What are the key properties of 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline?
4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline has a molecular weight of 267.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1H-pyridazin-2-yl)sulfonyl]aniline is sourced from PubChem (CID 154106202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).