N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide

C14H16Cl2N4O2S — CID 113044323

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
SMILESCC(C)(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H16Cl2N4O2S/c1-14(2,3)17-12-6-7-13(19-18-12)20-23(21,22)9-4-5-10(15)11(16)8-9/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyVDZLSGIPZIYOKB-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.79
Rot. Bonds4

About N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide

N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide (PubChem CID 113044323) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
PubChem CID113044323
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
SMILESCC(C)(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C14H16Cl2N4O2S/c1-14(2,3)17-12-6-7-13(19-18-12)20-23(21,22)9-4-5-10(15)11(16)8-9/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyVDZLSGIPZIYOKB-UHFFFAOYSA-N
XLogP3.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
CID 65033108
3,4-dichlorobenzenesulfonohydrazide
CID 2735965

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide (CID 113044323) is N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide is CC(C)(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is VDZLSGIPZIYOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-14(2,3)17-12-6-7-13(19-18-12)20-23(21,22)9-4-5-10(15)11(16)8-9/h4-8H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 375.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 113044323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).