4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide

C15H18Cl2N4O3S — CID 71849411

IUPAC4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
SMILESCCc1n[nH]c(=O)c(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1CC
InChIInChI=1S/C15H18Cl2N4O3S/c1-3-9-10(15(22)21-20-13(9)4-2)7-19-25(23,24)8-5-11(16)14(18)12(17)6-8/h5-6,19H,3-4,7,18H2,1-2H3,(H,21,22)
InChIKeyCSSWEOFIUCWCQE-UHFFFAOYSA-N
MW405.31 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide

4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide (PubChem CID 71849411) has the molecular formula C15H18Cl2N4O3S and a molecular weight of 405.31 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
PubChem CID71849411
Molecular FormulaC15H18Cl2N4O3S
Molecular Weight405.31 g/mol
Exact Mass404.05
IUPAC Name4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide
SMILESCCc1n[nH]c(=O)c(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1CC
InChIInChI=1S/C15H18Cl2N4O3S/c1-3-9-10(15(22)21-20-13(9)4-2)7-19-25(23,24)8-5-11(16)14(18)12(17)6-8/h5-6,19H,3-4,7,18H2,1-2H3,(H,21,22)
InChIKeyCSSWEOFIUCWCQE-UHFFFAOYSA-N
XLogP2.26
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide (CID 71849411) is 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide is CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1CC.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
The InChIKey is CSSWEOFIUCWCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O3S/c1-3-9-10(15(22)21-20-13(9)4-2)7-19-25(23,24)8-5-11(16)14(18)12(17)6-8/h5-6,19H,3-4,7,18H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide has a molecular weight of 405.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71849411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).