4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H19N5O3S2 — CID 6407153

IUPAC4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19N5O3S2/c1-32-18-10-6-16(7-11-18)22-20-4-2-3-5-21(20)23(28-27-22)26-17-8-12-19(13-9-17)34(30,31)29-24-25-14-15-33-24/h2-15H,1H3,(H,25,29)(H,26,28)
InChIKeyAAQNIDPVFJWWOB-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.31
Rot. Bonds7

About 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 6407153) has the molecular formula C24H19N5O3S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID6407153
Molecular FormulaC24H19N5O3S2
Molecular Weight489.58 g/mol
Exact Mass489.09
IUPAC Name4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H19N5O3S2/c1-32-18-10-6-16(7-11-18)22-20-4-2-3-5-21(20)23(28-27-22)26-17-8-12-19(13-9-17)34(30,31)29-24-25-14-15-33-24/h2-15H,1H3,(H,25,29)(H,26,28)
InChIKeyAAQNIDPVFJWWOB-UHFFFAOYSA-N
XLogP5.31
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 3142176
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 22693234
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
ethyl 4-[4-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]phthalazin-1-yl]benzoate
CID 25047984
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554
2-(4-methoxyphenyl)-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25048712
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 93486819
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
2-[(4-methoxyphenyl)-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]methyl]propanedioic acid
CID 175344859
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477
dimethyl 2-[(4-methoxyphenyl)-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]methyl]propanedioate
CID 166066770

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 6407153) is 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(-c2nnc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AAQNIDPVFJWWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S2/c1-32-18-10-6-16(7-11-18)22-20-4-2-3-5-21(20)23(28-27-22)26-17-8-12-19(13-9-17)34(30,31)29-24-25-14-15-33-24/h2-15H,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 489.58 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 6407153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).