N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide

C27H20N4O2S — CID 4091693

IUPACN-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn3c4cc(NS(=O)(=O)c5ccccc5)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2S/c1-18-11-13-19(14-12-18)26-22-9-5-6-10-23(22)27-28-24-16-15-20(17-25(24)31(27)29-26)30-34(32,33)21-7-3-2-4-8-21/h2-17,30H,1H3
InChIKeyCLTCZYPIQSDHHJ-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.81
Rot. Bonds4

About N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide

N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide (PubChem CID 4091693) has the molecular formula C27H20N4O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide
PubChem CID4091693
Molecular FormulaC27H20N4O2S
Molecular Weight464.55 g/mol
Exact Mass464.13
IUPAC NameN-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn3c4cc(NS(=O)(=O)c5ccccc5)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C27H20N4O2S/c1-18-11-13-19(14-12-18)26-22-9-5-6-10-23(22)27-28-24-16-15-20(17-25(24)31(27)29-26)30-34(32,33)21-7-3-2-4-8-21/h2-17,30H,1H3
InChIKeyCLTCZYPIQSDHHJ-UHFFFAOYSA-N
XLogP5.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
4-methyl-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenyl]benzenesulfonamide
CID 4904992
4-methyl-N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]benzenesulfonamide
CID 4870631
4-[4-[[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]amino]phthalazin-1-yl]benzamide
CID 3422996
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
5-(3,4-dimethylphenyl)quinazolino[2,3-a]phthalazin-8-one
CID 1045285
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 23875435

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide (CID 4091693) is N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide is Cc1ccc(-c2nn3c4cc(NS(=O)(=O)c5ccccc5)ccc4nc3c3ccccc23)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide?
The InChIKey is CLTCZYPIQSDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2S/c1-18-11-13-19(14-12-18)26-22-9-5-6-10-23(22)27-28-24-16-15-20(17-25(24)31(27)29-26)30-34(32,33)21-7-3-2-4-8-21/h2-17,30H,1H3.
What are the key properties of N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide?
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide is sourced from PubChem (CID 4091693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).