N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine

C19H25N3O2S — CID 53073339

IUPACN-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(NC3CCCCCC3)nn2)cc1C
InChIInChI=1S/C19H25N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)19-12-11-18(21-22-19)20-16-7-5-3-4-6-8-16/h9-13,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyUZTIYODLJRFCIC-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.06
Rot. Bonds4

About N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine

N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine (PubChem CID 53073339) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine
PubChem CID53073339
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine
SMILESCc1ccc(S(=O)(=O)c2ccc(NC3CCCCCC3)nn2)cc1C
InChIInChI=1S/C19H25N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)19-12-11-18(21-22-19)20-16-7-5-3-4-6-8-16/h9-13,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyUZTIYODLJRFCIC-UHFFFAOYSA-N
XLogP4.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butylsulfonyl-N-cycloheptylpyridazin-3-amine
CID 53073326
3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine
CID 53073343
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
5-[6-(cyclohexylamino)pyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 27262288
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113039144
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942064
N-[6-(cyclopropylamino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113038129
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine?
The IUPAC name of N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine (CID 53073339) is N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine.
What is the SMILES notation for N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine?
The canonical SMILES for N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine is Cc1ccc(S(=O)(=O)c2ccc(NC3CCCCCC3)nn2)cc1C.
What is the InChIKey of N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine?
The InChIKey is UZTIYODLJRFCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)19-12-11-18(21-22-19)20-16-7-5-3-4-6-8-16/h9-13,16H,3-8H2,1-2H3,(H,20,21).
What are the key properties of N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine?
N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine has a molecular weight of 359.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(3,4-dimethylphenyl)sulfonylpyridazin-3-amine is sourced from PubChem (CID 53073339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).