3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide

C20H15Cl2N5O3S — CID 71719863

IUPAC3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cccnn2)cc1Cl
InChIInChI=1S/C20H15Cl2N5O3S/c1-27-17(8-10-24-27)15-11-13(21)4-6-18(15)30-19-7-5-14(12-16(19)22)31(28,29)26-20-3-2-9-23-25-20/h2-12H,1H3,(H,25,26)
InChIKeyQUSWQYBMXIKGOH-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.78
Rot. Bonds6

About 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide

3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 71719863) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID71719863
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC Name3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cccnn2)cc1Cl
InChIInChI=1S/C20H15Cl2N5O3S/c1-27-17(8-10-24-27)15-11-13(21)4-6-18(15)30-19-7-5-14(12-16(19)22)31(28,29)26-20-3-2-9-23-25-20/h2-12H,1H3,(H,25,26)
InChIKeyQUSWQYBMXIKGOH-UHFFFAOYSA-N
XLogP4.78
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71720484
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-3-chloro-N-pyridazin-3-ylbenzenesulfonamide
CID 71718110
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71719390
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 46841501
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716866
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716265
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
3-chloro-4-[4-chloro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71718654
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
3-fluoro-4-[2-(2-methylpyrazol-3-yl)-4-phenylphenoxy]benzenesulfonyl chloride
CID 58042351
4-[4-bromo-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71720541
4-[4-chloro-2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]phenoxy]-3-cyano-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 46841648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide (CID 71719863) is 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide is Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cccnn2)cc1Cl.
What is the InChIKey of 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is QUSWQYBMXIKGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c1-27-17(8-10-24-27)15-11-13(21)4-6-18(15)30-19-7-5-14(12-16(19)22)31(28,29)26-20-3-2-9-23-25-20/h2-12H,1H3,(H,25,26).
What are the key properties of 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide?
3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 476.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 71719863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).