4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide

C20H16N4O3S — CID 1076562

IUPAC4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4O3S/c21-28(26,27)16-11-7-14(8-12-16)22-20-18-4-2-1-3-17(18)19(23-24-20)13-5-9-15(25)10-6-13/h1-12,25H,(H,22,24)(H2,21,26,27)
InChIKeyHSOSEKWKIWPKBK-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.39
Rot. Bonds4

About 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide

4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide (PubChem CID 1076562) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
PubChem CID1076562
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C20H16N4O3S/c21-28(26,27)16-11-7-14(8-12-16)22-20-18-4-2-1-3-17(18)19(23-24-20)13-5-9-15(25)10-6-13/h1-12,25H,(H,22,24)(H2,21,26,27)
InChIKeyHSOSEKWKIWPKBK-UHFFFAOYSA-N
XLogP3.39
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide (CID 1076562) is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide?
The InChIKey is HSOSEKWKIWPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-28(26,27)16-11-7-14(8-12-16)22-20-18-4-2-1-3-17(18)19(23-24-20)13-5-9-15(25)10-6-13/h1-12,25H,(H,22,24)(H2,21,26,27).
What are the key properties of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide?
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide is sourced from PubChem (CID 1076562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).