1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide

C21H20N2O4S — CID 90654880

IUPAC1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C21H20N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)24)28(25,26)22-13-14-7-9-15(27-2)10-8-14/h4-12,22H,3,13H2,1-2H3
InChIKeyZAFDZZBLLWYWKW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.31
Rot. Bonds6

About 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 90654880) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID90654880
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(OC)cc4)ccc1c23
InChIInChI=1S/C21H20N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)24)28(25,26)22-13-14-7-9-15(27-2)10-8-14/h4-12,22H,3,13H2,1-2H3
InChIKeyZAFDZZBLLWYWKW-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide 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

1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
CID 1068830
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
1-ethyl-6-(4-methoxyanilino)sulfanylbenzo[cd]indol-2-one
CID 144874581
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
CID 15944572

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide (CID 90654880) is 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccc(OC)cc4)ccc1c23.
What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is ZAFDZZBLLWYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)24)28(25,26)22-13-14-7-9-15(27-2)10-8-14/h4-12,22H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90654880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).