N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide

C15H19ClN4O3S — CID 113044338

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1Cl
InChIInChI=1S/C15H19ClN4O3S/c1-15(2,3)17-13-7-8-14(19-18-13)20-24(21,22)10-5-6-12(23-4)11(16)9-10/h5-9H,1-4H3,(H,17,18)(H,19,20)
InChIKeyXITACJVMFXDQBN-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.15
Rot. Bonds5

About N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide

N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 113044338) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
PubChem CID113044338
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1Cl
InChIInChI=1S/C15H19ClN4O3S/c1-15(2,3)17-13-7-8-14(19-18-13)20-24(21,22)10-5-6-12(23-4)11(16)9-10/h5-9H,1-4H3,(H,17,18)(H,19,20)
InChIKeyXITACJVMFXDQBN-UHFFFAOYSA-N
XLogP3.15
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
CID 113044323
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
CID 75458372
4-chloro-N-[6-[(4-chloro-3-methoxyphenyl)sulfonylamino]-2-pyridinyl]-3-methoxybenzenesulfonamide
CID 71671387
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide (CID 113044338) is N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1Cl.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is XITACJVMFXDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-15(2,3)17-13-7-8-14(19-18-13)20-24(21,22)10-5-6-12(23-4)11(16)9-10/h5-9H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 370.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113044338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).