2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide

C21H19N5O4S2 — CID 71607951

IUPAC2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
SMILESCc1cc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)ccc1S(N)(=O)=O
InChIInChI=1S/C21H19N5O4S2/c1-13-12-14(6-11-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-7-9-16(10-8-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30)
InChIKeyVGWGODQLJSCOSQ-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide

2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide (PubChem CID 71607951) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
PubChem CID71607951
Molecular FormulaC21H19N5O4S2
Molecular Weight469.55 g/mol
Exact Mass469.09
IUPAC Name2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
SMILESCc1cc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)ccc1S(N)(=O)=O
InChIInChI=1S/C21H19N5O4S2/c1-13-12-14(6-11-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-7-9-16(10-8-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30)
InChIKeyVGWGODQLJSCOSQ-UHFFFAOYSA-N
XLogP2.64
TPSA158.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
4-[[4-(2-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
CID 174726378
3-[(4-phenylphthalazin-1-yl)amino]benzenesulfonamide
CID 71607913
N-(4-fluorophenyl)-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-amine
CID 1415597
5-[4-(3-chloroanilino)phthalazin-1-yl]-N,2-dimethylbenzenesulfonamide
CID 1390975
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
2-[4-[[4-[3-(diethylsulfamoyl)-4-methylphenyl]phthalazin-1-yl]amino]phenoxy]acetamide
CID 1419361
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 3142176
ethyl 4-[4-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]phthalazin-1-yl]benzoate
CID 25047984
N'-[4-(3,4-dimethylphenyl)phthalazin-1-yl]ethane-1,2-diamine
CID 82191456
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide (CID 71607951) is 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide is Cc1cc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide?
The InChIKey is VGWGODQLJSCOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c1-13-12-14(6-11-19(13)32(23,29)30)20-17-4-2-3-5-18(17)21(26-25-20)24-15-7-9-16(10-8-15)31(22,27)28/h2-12H,1H3,(H,24,26)(H2,22,27,28)(H2,23,29,30).
What are the key properties of 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide?
2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide has a molecular weight of 469.55 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 71607951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).