N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide

C13H14ClN3O2S — CID 176509412

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H14ClN3O2S/c1-10(11-5-7-12(14)8-6-11)17(2)20(18,19)13-4-3-9-15-16-13/h3-10H,1-2H3/t10-/m0/s1
InChIKeyGQUJORBRVHODAH-JTQLQIEISA-N
MW311.79 g/mol
LogP2.51
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide (PubChem CID 176509412) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide
PubChem CID176509412
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H14ClN3O2S/c1-10(11-5-7-12(14)8-6-11)17(2)20(18,19)13-4-3-9-15-16-13/h3-10H,1-2H3/t10-/m0/s1
InChIKeyGQUJORBRVHODAH-JTQLQIEISA-N
XLogP2.51
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2,2,2-trifluoro-N-methyl-N-pyridazin-3-ylsulfanylethanamine
CID 168899197
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 169932571
6-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 172216135
N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175581064
6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175581319
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175901472
4-(5-Chloropyridazin-3-yl)benzenesulfonamide
CID 67822548
N-(5-chloropyridazin-1-ium-1-yl)-4-methyl-N-phenylbenzenesulfonamide perchlorate
CID 88819695
N-(5-chloropyridazin-1-ium-1-yl)-4-methyl-N-phenylbenzenesulfonamide
CID 88819696
2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide
CID 100631540
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692097
2-chloro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084094

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide (CID 176509412) is N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide is C[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccnn1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide?
The InChIKey is GQUJORBRVHODAH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-10(11-5-7-12(14)8-6-11)17(2)20(18,19)13-4-3-9-15-16-13/h3-10H,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyridazine-3-sulfonamide is sourced from PubChem (CID 176509412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).