N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

C16H15ClN4O2S2 — CID 113041587

IUPACN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3Cl)nn2)s1
InChIInChI=1S/C16H15ClN4O2S2/c1-11-6-9-16(24-11)25(22,23)21-15-8-7-14(19-20-15)18-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyXUBMZDCUEXWCFC-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.91
Rot. Bonds6

About N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide

N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 113041587) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
PubChem CID113041587
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC NameN-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3Cl)nn2)s1
InChIInChI=1S/C16H15ClN4O2S2/c1-11-6-9-16(24-11)25(22,23)21-15-8-7-14(19-20-15)18-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyXUBMZDCUEXWCFC-UHFFFAOYSA-N
XLogP3.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042391
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
5-methyl-N-[6-(3-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113045782
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113041532
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
CID 75449103
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide (CID 113041587) is N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3Cl)nn2)s1.
What is the InChIKey of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is XUBMZDCUEXWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c1-11-6-9-16(24-11)25(22,23)21-15-8-7-14(19-20-15)18-10-12-4-2-3-5-13(12)17/h2-9H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide?
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 394.91 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113041587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).