3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide

C20H16N4O2S — CID 71607913

IUPAC3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)16-10-6-9-15(13-16)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)(H2,21,25,26)
InChIKeyQEWZMNOGZNLSCF-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.69
Rot. Bonds4

About 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide

3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide (PubChem CID 71607913) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
PubChem CID71607913
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C20H16N4O2S/c21-27(25,26)16-10-6-9-15(13-16)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)(H2,21,25,26)
InChIKeyQEWZMNOGZNLSCF-UHFFFAOYSA-N
XLogP3.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
CID 71607951
3-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 172913760
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
4-[[4-(2-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 174726378
methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate
CID 56949020
5-[4-(3-chloroanilino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide
CID 1390975
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
4-[4-(methoxymethyl)phenyl]-N-(3-propan-2-ylphenyl)phthalazin-1-amine
CID 123307293
3-[[4-(3-cyclopropylphenyl)phthalazin-1-yl]amino]phenol
CID 169230489
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
methyl 4-[4-(3-methylanilino)phthalazin-1-yl]benzoate;methyl 4-[4-(4-methylanilino)phthalazin-1-yl]benzoate
CID 162135819

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide (CID 71607913) is 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide?
The InChIKey is QEWZMNOGZNLSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-27(25,26)16-10-6-9-15(13-16)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)(H2,21,25,26).
What are the key properties of 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide?
3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 71607913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).