N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide

C19H17ClF3N5O3S — CID 31666771

IUPACN-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClF3N5O3S/c1-12-2-5-14(6-3-12)32(30,31)27-9-8-24-15-11-26-28(18(29)17(15)20)16-7-4-13(10-25-16)19(21,22)23/h2-7,10-11,24,27H,8-9H2,1H3
InChIKeyIUPXOMCYXTYOGW-UHFFFAOYSA-N
MW487.89 g/mol
LogP3.00
Rot. Bonds7

About N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide

N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 31666771) has the molecular formula C19H17ClF3N5O3S and a molecular weight of 487.89 g/mol. Its IUPAC name is N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide
PubChem CID31666771
Molecular FormulaC19H17ClF3N5O3S
Molecular Weight487.89 g/mol
Exact Mass487.07
IUPAC NameN-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1
InChIInChI=1S/C19H17ClF3N5O3S/c1-12-2-5-14(6-3-12)32(30,31)27-9-8-24-15-11-26-28(18(29)17(15)20)16-7-4-13(10-25-16)19(21,22)23/h2-7,10-11,24,27H,8-9H2,1H3
InChIKeyIUPXOMCYXTYOGW-UHFFFAOYSA-N
XLogP3.00
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide (CID 31666771) is N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1.
What is the InChIKey of N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is IUPXOMCYXTYOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O3S/c1-12-2-5-14(6-3-12)32(30,31)27-9-8-24-15-11-26-28(18(29)17(15)20)16-7-4-13(10-25-16)19(21,22)23/h2-7,10-11,24,27H,8-9H2,1H3.
What are the key properties of N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide?
N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 487.89 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 31666771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).