N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

C25H19N3O5S — CID 1249036

IUPACN-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2)cc1
InChIInChI=1S/C25H19N3O5S/c1-33-18-11-9-16(10-12-18)26-24(29)15-5-7-17(8-6-15)28-34(31,32)22-14-13-21-23-19(22)3-2-4-20(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
InChIKeyHBQUFCGXVHGEPD-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.47
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide

N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (PubChem CID 1249036) has the molecular formula C25H19N3O5S and a molecular weight of 473.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
PubChem CID1249036
Molecular FormulaC25H19N3O5S
Molecular Weight473.51 g/mol
Exact Mass473.10
IUPAC NameN-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2)cc1
InChIInChI=1S/C25H19N3O5S/c1-33-18-11-9-16(10-12-18)26-24(29)15-5-7-17(8-6-15)28-34(31,32)22-14-13-21-23-19(22)3-2-4-20(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30)
InChIKeyHBQUFCGXVHGEPD-UHFFFAOYSA-N
XLogP4.47
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
N-(4-hydroxy-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 6486633
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523408
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 86288876
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
Ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 992505
2-oxo-N-(4-phenoxyphenyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1353440
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester
CID 6615755
6-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
CID 15169682

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide (CID 1249036) is N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
The InChIKey is HBQUFCGXVHGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5S/c1-33-18-11-9-16(10-12-18)26-24(29)15-5-7-17(8-6-15)28-34(31,32)22-14-13-21-23-19(22)3-2-4-20(23)25(30)27-21/h2-14,28H,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide?
N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide has a molecular weight of 473.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 1249036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).