N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C23H25N3O5S2 — CID 55895798

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(30,31)16-12-14(3)15(4)20(13-16)25-32(28,29)21-11-10-19-22-17(21)8-7-9-18(22)23(27)24-19/h7-13,25H,5-6H2,1-4H3,(H,24,27)
InChIKeyYMQFORPFUHRIOG-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.85
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55895798) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55895798
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(30,31)16-12-14(3)15(4)20(13-16)25-32(28,29)21-11-10-19-22-17(21)8-7-9-18(22)23(27)24-19/h7-13,25H,5-6H2,1-4H3,(H,24,27)
InChIKeyYMQFORPFUHRIOG-UHFFFAOYSA-N
XLogP3.85
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
N-[(8S)-3,8-dimethyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 40851726
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
ethyl 6-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-2-propyl-1-benzofuran-3-carboxylate
CID 4856228
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 55895798) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is YMQFORPFUHRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-5-26(6-2)33(30,31)16-12-14(3)15(4)20(13-16)25-32(28,29)21-11-10-19-22-17(21)8-7-9-18(22)23(27)24-19/h7-13,25H,5-6H2,1-4H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 487.60 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55895798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).