2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

C19H17Cl2N3O3S — CID 43985767

IUPAC2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1
InChIInChI=1S/C19H17Cl2N3O3S/c1-2-10-27-19-9-8-17(22-23-19)13-4-3-5-15(11-13)24-28(25,26)18-12-14(20)6-7-16(18)21/h3-9,11-12,24H,2,10H2,1H3
InChIKeySMVLCKMNKSMNDC-UHFFFAOYSA-N
MW438.34 g/mol
LogP5.04
Rot. Bonds7

About 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 43985767) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID43985767
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC Name2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1
InChIInChI=1S/C19H17Cl2N3O3S/c1-2-10-27-19-9-8-17(22-23-19)13-4-3-5-15(11-13)24-28(25,26)18-12-14(20)6-7-16(18)21/h3-9,11-12,24H,2,10H2,1H3
InChIKeySMVLCKMNKSMNDC-UHFFFAOYSA-N
XLogP5.04
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349130
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 43985825
N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7524020
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
2,5-dichloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide
CID 39000746
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 43985818
2,5-dimethoxy-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 30295054

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide (CID 43985767) is 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is CCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1.
What is the InChIKey of 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is SMVLCKMNKSMNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-2-10-27-19-9-8-17(22-23-19)13-4-3-5-15(11-13)24-28(25,26)18-12-14(20)6-7-16(18)21/h3-9,11-12,24H,2,10H2,1H3.
What are the key properties of 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 438.34 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43985767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).