N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide

C18H18N4O2S — CID 170510711

IUPACN-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-13-12-15(22-25(2,23)24)8-9-16(13)19-18-11-10-17(20-21-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,21)
InChIKeyLVAREYSMUFYWPC-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.57
Rot. Bonds5

About N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide

N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 170510711) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide
PubChem CID170510711
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-13-12-15(22-25(2,23)24)8-9-16(13)19-18-11-10-17(20-21-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,21)
InChIKeyLVAREYSMUFYWPC-UHFFFAOYSA-N
XLogP3.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]methanesulfonamide
CID 113046385
N-[2-methyl-5-[[6-(4-phenylphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 25138217
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
N-(2-fluorophenyl)-6-phenylpyridazin-3-amine
CID 110273579
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
CID 108779606
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047692
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113046261
N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50777051

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide (CID 170510711) is N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is LVAREYSMUFYWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-12-15(22-25(2,23)24)8-9-16(13)19-18-11-10-17(20-21-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,21).
What are the key properties of N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide?
N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(6-phenylpyridazin-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 170510711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).