N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide

C15H20N4O2S — CID 113047098

IUPACN-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C15H20N4O2S/c1-15(2,3)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-22(4,20)21/h5-10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyLMHIWHLEZFHYQN-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.89
Rot. Bonds4

About N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide

N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide (PubChem CID 113047098) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
PubChem CID113047098
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NS(C)(=O)=O)nn1
InChIInChI=1S/C15H20N4O2S/c1-15(2,3)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-22(4,20)21/h5-10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyLMHIWHLEZFHYQN-UHFFFAOYSA-N
XLogP2.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113047104
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
CID 113051513
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide (CID 113047098) is N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide is CC(C)(C)c1ccccc1Nc1ccc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide?
The InChIKey is LMHIWHLEZFHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15(2,3)11-7-5-6-8-12(11)16-13-9-10-14(18-17-13)19-22(4,20)21/h5-10H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide?
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide is sourced from PubChem (CID 113047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).