N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

C25H19N3O4S — CID 55662988

IUPACN-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C25H19N3O4S/c1-15-6-4-7-16(14-15)26-24(29)17-8-2-3-11-20(17)28-33(31,32)22-13-12-21-23-18(22)9-5-10-19(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
InChIKeyZXONKQSFMMHJIP-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.77
Rot. Bonds5

About N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (PubChem CID 55662988) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
PubChem CID55662988
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC NameN-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C25H19N3O4S/c1-15-6-4-7-16(14-15)26-24(29)17-8-2-3-11-20(17)28-33(31,32)22-13-12-21-23-18(22)9-5-10-19(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
InChIKeyZXONKQSFMMHJIP-UHFFFAOYSA-N
XLogP4.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide with MolForge

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Related Compounds

3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
2-[(2,3-difluorophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 60621514
N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
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
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (CID 55662988) is N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The InChIKey is ZXONKQSFMMHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-15-6-4-7-16(14-15)26-24(29)17-8-2-3-11-20(17)28-33(31,32)22-13-12-21-23-18(22)9-5-10-19(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide has a molecular weight of 457.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 55662988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).